#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 3.11 0.02 -1.46 -0.14 -1.26 -2.28 119.74 117.73 1gpx s LYS 2 Ca 0.00 -0.91 0.03 0.00 -1.36 0.00 0.00 55.97 53.73 1gpx s LYS 2 Cb 0.00 -4.21 -0.04 0.00 -1.68 0.00 0.00 37.83 31.91 1gpx s LYS 2 CO 0.00 -1.65 -0.04 0.08 -0.76 0.00 0.00 175.35 172.98 1gpx s VAL 3 N 3.55 3.86 -0.07 3.17 1.01 -1.09 -0.34 120.40 130.49 1gpx s VAL 3 Ca 0.19 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1gpx s VAL 3 Cb -0.19 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.49 1gpx s VAL 3 CO 0.10 0.33 -0.08 -0.69 0.00 0.00 0.00 175.10 174.76 1gpx s VAL 4 N -1.08 0.89 -0.14 2.92 1.01 -0.56 0.90 120.40 124.34 1gpx s VAL 4 Ca 0.19 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 1gpx s VAL 4 Cb -0.11 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1gpx s VAL 4 CO 0.10 0.31 0.09 -0.31 0.00 0.00 0.00 175.10 175.29 1gpx s TYR 5 N 0.97 3.39 -0.07 5.22 2.02 0.83 0.56 117.35 130.28 1gpx s TYR 5 Ca -0.09 0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.98 1gpx s TYR 5 Cb -0.15 -1.96 -0.01 0.00 -0.40 0.00 0.00 41.96 39.45 1gpx s TYR 5 CO 0.00 0.49 -0.24 0.08 -1.57 0.00 0.00 175.55 174.31 1gpx s VAL 6 N -0.51 2.00 0.00 0.71 1.01 -1.17 0.26 120.40 122.69 1gpx s VAL 6 Ca 0.11 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1gpx s VAL 6 Cb -0.12 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1gpx s VAL 6 CO 0.02 0.55 0.00 -1.54 0.00 0.00 0.00 175.10 174.13 1gpx n SER 7 N 3.16 0.00 -0.25 3.32 3.41 0.35 0.29 113.62 123.89 1gpx n SER 7 Ca -0.18 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.51 1gpx n SER 7 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.76 7.33 1.44 -1.22 -3.33 115.22 120.19 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 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.24 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 -0.59 3.12 0.00 4.39 5.75 -1.26 -4.93 116.55 123.03 1gpx n ASP 9 Ca 0.06 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 1gpx n ASP 9 Cb 0.34 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 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 1.37 2.48 3.59 6.12 0.00 -1.26 -5.06 105.19 112.44 1gpx n GLY 10 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.67 1.43 -4.18 2.61 5.66 -1.26 -4.61 114.28 113.24 1gpx n THR 11 Ca 0.00 -0.36 -0.19 0.00 -3.05 0.00 0.00 64.05 60.45 1gpx n THR 11 Cb 0.00 -0.99 -0.12 0.00 -1.55 0.00 0.00 70.33 67.67 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 -0.94 0.85 0.04 1.09 0.52 -1.26 0.13 118.95 119.38 1gpx s ARG 12 Ca 0.66 -0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 1gpx s ARG 12 Cb -0.76 -0.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.80 1gpx s ARG 12 CO 0.56 0.20 -0.03 0.50 0.02 0.00 0.00 175.30 176.55 1gpx s ARG 13 N -1.75 0.49 -0.07 3.54 6.06 0.72 -4.90 118.95 123.04 1gpx s ARG 13 Ca -0.01 -0.97 0.01 0.00 -2.50 0.00 0.00 55.73 52.27 1gpx s ARG 13 Cb -0.10 0.17 0.02 0.00 0.06 0.00 0.00 34.95 35.10 1gpx s ARG 13 CO 0.02 -0.09 -0.09 -1.21 -2.50 0.00 0.00 175.30 171.44 1gpx s GLU 14 N -2.92 1.35 0.03 5.12 2.02 -1.26 0.29 118.70 123.33 1gpx s GLU 14 Ca -0.02 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1gpx s GLU 14 Cb 0.01 -1.23 -0.00 0.00 0.10 0.00 0.00 34.13 33.00 1gpx s GLU 14 CO -0.06 -0.06 0.00 1.28 0.02 0.00 0.00 175.26 176.43 1gpx n LEU 15 N 4.11 0.00 -3.57 1.80 4.77 0.26 -4.96 117.00 119.41 1gpx n LEU 15 Ca -0.21 -0.17 -0.28 0.00 -0.03 0.00 0.00 56.01 55.32 1gpx n LEU 15 Cb 0.51 0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1gpx n LEU 15 CO 0.23 -0.02 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.41 1gpx s ASP 16 N -1.15 2.67 -0.18 -1.43 2.15 -1.26 -2.69 116.67 114.79 1gpx s ASP 16 Ca 0.00 -3.18 -0.11 0.00 0.43 0.00 0.00 52.55 49.68 1gpx s ASP 16 Cb 0.00 -0.82 -0.05 0.00 -0.30 0.00 0.00 42.92 41.75 1gpx s ASP 16 CO 0.00 -0.17 0.20 -0.69 -0.17 0.00 0.00 175.17 174.34 1gpx s VAL 17 N -0.26 5.37 0.00 1.11 1.01 -0.97 -4.67 120.40 121.99 1gpx s VAL 17 Ca 0.28 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1gpx s VAL 17 Cb -0.03 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1gpx s VAL 17 CO -0.16 0.43 0.00 0.00 0.00 0.00 0.00 175.10 175.37 1gpx n ALA 18 N 3.45 0.00 -2.21 5.51 0.00 -1.26 0.28 120.51 126.28 1gpx n ALA 18 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1gpx n ALA 18 Cb 0.52 0.00 -0.03 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 0.02 6.83 0.00 0.00 1.47 -0.36 -2.61 116.67 122.02 1gpx s ASP 19 Ca 0.00 2.10 0.00 0.00 1.18 0.00 0.00 52.55 55.83 1gpx s ASP 19 Cb 0.00 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 40.02 1gpx s ASP 19 CO 0.00 -0.75 0.00 0.61 0.68 0.00 0.00 175.17 175.71 1gpx n GLY 20 N 3.70 1.69 3.82 2.12 0.00 -1.26 -5.01 105.19 110.26 1gpx n GLY 20 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.20 3.12 0.18 1.61 1.01 -1.07 -4.96 120.40 118.08 1gpx s VAL 21 Ca 0.00 -1.46 0.11 0.00 0.00 0.00 0.00 61.98 60.63 1gpx s VAL 21 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1gpx s VAL 21 CO 0.00 -0.12 -0.23 -0.94 0.00 0.00 0.00 175.10 173.81 1gpx s SER 22 N -3.99 3.24 0.58 3.32 1.04 -1.26 -0.36 113.70 116.26 1gpx s SER 22 Ca 0.42 -0.85 0.33 0.00 0.48 0.00 0.00 55.95 56.33 1gpx s SER 22 Cb -0.04 -0.23 1.39 0.00 0.10 0.00 0.00 66.02 67.25 1gpx s SER 22 CO 0.26 0.09 1.70 -0.07 0.98 0.00 0.00 173.24 176.20 1gpx h LEU 23 N 3.32 0.00 0.11 2.42 3.38 -1.65 -1.14 115.31 121.74 1gpx h LEU 23 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1gpx h LEU 23 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1gpx h LEU 23 CO 0.47 0.00 -0.05 -0.03 0.09 0.00 0.00 178.44 178.92 1gpx h MET 24 N 0.00 -0.14 0.00 1.13 4.05 -1.61 -3.20 114.93 115.16 1gpx h MET 24 Ca 0.45 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.88 1gpx h MET 24 Cb 2.16 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.99 1gpx h MET 24 CO -0.00 -0.09 0.00 0.94 0.23 0.00 0.00 176.91 177.98 1gpx n GLN 25 N -2.85 0.00 -0.28 0.39 7.27 -0.44 0.34 117.38 121.81 1gpx n GLN 25 Ca -0.02 0.74 -0.07 0.00 0.07 0.00 0.00 57.00 57.72 1gpx n GLN 25 Cb 0.06 -1.18 -0.02 0.00 2.41 0.00 0.00 30.24 31.50 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 -1.19 -0.21 0.68 1.69 0.00 -1.74 0.04 119.26 118.53 1gpx h ALA 26 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1gpx h ALA 26 Cb 0.00 1.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1gpx h ALA 26 CO 0.00 -0.78 -0.48 0.00 0.00 0.00 0.00 179.25 177.98 1gpx h ALA 27 N 0.83 -1.23 -0.24 0.00 0.00 -1.12 -0.27 119.26 117.23 1gpx h ALA 27 Ca 0.22 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1gpx h ALA 27 Cb 0.55 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1gpx h ALA 27 CO -0.80 -1.21 -0.14 0.28 0.00 0.00 0.00 179.25 177.38 1gpx n VAL 28 N -5.47 -0.16 -0.09 0.00 0.31 1.06 0.14 118.33 114.12 1gpx n VAL 28 Ca -0.13 1.20 -0.06 0.00 -0.01 0.00 0.00 64.34 65.33 1gpx n VAL 28 Cb 0.48 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 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 -0.64 0.02 4.52 0.02 -0.92 1.04 113.55 117.59 1gpx h SER 29 Ca 0.04 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1gpx h SER 29 Cb 0.10 0.34 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1gpx h SER 29 CO -0.22 -0.23 0.00 0.59 -1.14 0.00 0.00 176.83 175.83 1gpx n ASN 30 N -5.36 0.00 0.00 3.07 3.02 0.38 -4.74 115.26 111.63 1gpx n ASN 30 Ca 0.01 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1gpx n ASN 30 Cb 0.27 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.31 2.29 0.44 7.41 0.00 0.36 -4.85 105.19 109.53 1gpx n GLY 31 Ca 0.00 0.00 0.32 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 0.22 -2.47 -0.61 2.04 -1.32 -1.11 117.51 114.27 1gpx h ILE 32 Ca 0.00 -0.06 -0.76 0.00 1.00 0.00 0.00 64.86 65.04 1gpx h ILE 32 Cb 0.00 0.04 -0.31 0.00 -0.74 0.00 0.00 36.82 35.81 1gpx h ILE 32 CO 0.00 0.03 0.58 -1.22 0.00 0.00 0.00 178.15 177.55 1gpx n TYR 33 N -4.72 2.84 -0.51 1.37 4.01 -1.25 -4.87 117.16 114.03 1gpx n TYR 33 Ca 0.34 -2.90 -0.07 0.00 -0.16 0.00 0.00 57.90 55.11 1gpx n TYR 33 Cb 1.27 -1.06 -0.08 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.45 2.77 0.00 7.72 5.75 -0.42 -4.69 116.55 128.13 1gpx n ASP 34 Ca 0.36 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1gpx n ASP 34 Cb 0.31 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 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 2.90 0.00 -2.85 2.12 -5.35 -1.26 -5.13 119.36 109.79 1gpx n ILE 35 Ca 0.23 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.51 1gpx n ILE 35 Cb 0.42 0.00 0.06 0.00 -1.74 0.00 0.00 39.64 38.38 1gpx n ILE 35 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1gpx s VAL 36 N 3.33 2.44 -0.60 7.28 1.01 -1.26 -5.07 120.40 127.53 1gpx s VAL 36 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1gpx s VAL 36 Cb 0.00 -2.60 0.15 0.00 0.00 0.00 0.00 36.38 33.93 1gpx s VAL 36 CO 0.00 0.00 0.36 -0.83 0.00 0.00 0.00 175.10 174.63 1gpx s GLY 37 N -4.56 2.65 0.00 4.51 0.00 -1.26 -4.85 107.32 103.81 1gpx s GLY 37 Ca 0.60 -3.51 0.00 0.00 0.00 0.00 0.00 44.72 41.82 1gpx s GLY 37 CO 0.39 1.04 0.81 1.22 0.00 0.00 0.00 173.10 176.56 1gpx n ASP 38 N 2.64 1.62 -0.05 1.64 8.00 -1.26 -4.80 116.55 124.34 1gpx n ASP 38 Ca 0.11 -1.63 -0.10 0.00 0.71 0.00 0.00 54.79 53.87 1gpx n ASP 38 Cb 0.33 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 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 2.32 -0.44 1.44 0.00 0.00 -1.26 0.56 105.19 107.81 1gpx n GLY 40 Ca -0.18 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.39 0.94 0.00 -0.02 0.00 -1.26 -4.96 105.19 98.49 1gpx n GLY 41 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 1.36 1.99 -1.86 1.61 2.88 0.19 -5.09 113.62 114.71 1gpx n SER 42 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1gpx n SER 42 Cb 0.49 0.12 0.01 0.00 -0.75 0.00 0.00 64.21 64.08 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 -1.52 -1.03 -0.57 -1.46 0.00 -1.25 -4.71 120.51 109.98 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 0.22 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.76 0.80 -4.29 0.00 3.41 -1.26 -3.50 113.62 107.02 1gpx n SER 44 Ca -0.01 -1.37 -0.35 0.00 -0.26 0.00 0.00 58.87 56.87 1gpx n SER 44 Cb 0.52 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.33 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 4.78 2.41 0.05 0.00 0.00 -1.26 -3.01 120.51 123.48 1gpx n ALA 46 Ca -0.17 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 1gpx n ALA 46 Cb 0.49 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 1gpx n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gpx h THR 47 N 0.00 1.31 -0.30 0.00 1.03 -1.92 -3.24 112.91 109.79 1gpx h THR 47 Ca 0.00 -3.02 0.00 0.00 -0.01 0.00 0.00 66.41 63.38 1gpx h THR 47 Cb 0.00 2.73 0.00 0.00 -1.07 0.00 0.00 68.15 69.81 1gpx h THR 47 CO 0.00 0.81 0.00 0.00 -0.01 0.00 0.00 175.52 176.32 1gpx n HIS 49 N 0.38 -1.09 -3.56 0.00 -0.00 -1.23 0.31 115.22 110.03 1gpx n HIS 49 Ca 0.11 0.37 -0.11 0.00 0.46 0.00 0.00 57.72 58.55 1gpx n HIS 49 Cb 0.33 -1.89 -0.04 0.00 -0.12 0.00 0.00 29.99 28.27 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 -1.85 0.04 -0.20 3.57 -7.23 0.34 -4.41 120.40 110.67 1gpx s VAL 50 Ca 0.65 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 1gpx s VAL 50 Cb -0.39 -1.12 0.03 0.00 0.56 0.00 0.00 36.38 35.46 1gpx s VAL 50 CO 0.58 -0.20 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.68 1gpx s TYR 51 N -3.79 2.88 0.18 2.82 2.02 1.01 -1.28 117.35 121.18 1gpx s TYR 51 Ca 0.02 -1.78 0.01 0.00 -0.37 0.00 0.00 57.07 54.96 1gpx s TYR 51 Cb 0.01 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1gpx s TYR 51 CO -0.12 -0.82 0.34 0.08 -1.57 0.00 0.00 175.55 173.45 1gpx s VAL 52 N 1.25 5.27 0.09 0.71 1.01 -1.26 0.27 120.40 127.74 1gpx s VAL 52 Ca 0.02 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1gpx s VAL 52 Cb -0.14 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1gpx s VAL 52 CO -0.11 -0.14 1.14 0.54 0.00 0.00 0.00 175.10 176.53 1gpx s ASN 53 N -3.24 7.16 0.51 3.32 6.03 0.60 -4.71 114.94 124.61 1gpx s ASN 53 Ca 0.36 2.00 0.32 0.00 -1.03 0.00 0.00 52.86 54.51 1gpx s ASN 53 Cb -0.11 -2.59 1.09 0.00 -3.03 0.00 0.00 41.25 36.62 1gpx s ASN 53 CO 0.29 -0.37 1.23 -1.84 -2.03 0.00 0.00 177.10 174.37 1gpx n GLU 54 N 3.47 0.01 0.28 3.55 0.28 -1.26 0.11 120.64 127.08 1gpx n GLU 54 Ca 0.07 0.92 0.14 0.00 -0.16 0.00 0.00 57.16 58.12 1gpx n GLU 54 Cb 0.47 -2.22 0.81 0.00 1.43 0.00 0.00 31.44 31.94 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 0.63 1.38 0.00 -1.84 0.00 -1.96 -2.92 119.26 114.54 1gpx h ALA 55 Ca 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1gpx h ALA 55 Cb 2.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.67 1gpx h ALA 55 CO -0.01 0.08 -0.08 1.19 0.00 0.00 0.00 179.25 180.43 1gpx n PHE 56 N -3.72 0.00 0.06 0.00 3.01 0.31 -4.56 117.46 112.57 1gpx n PHE 56 Ca -0.02 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.38 1gpx n PHE 56 Cb 0.17 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.54 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 1.57 0.00 4.37 1.35 -1.36 -2.59 112.91 116.26 1gpx h THR 57 Ca 0.00 -3.25 -0.12 0.00 -0.55 0.00 0.00 66.41 62.49 1gpx h THR 57 Cb 0.00 2.78 -0.02 0.00 -1.73 0.00 0.00 68.15 69.18 1gpx h THR 57 CO 0.00 0.90 -0.56 -2.24 -0.25 0.00 0.00 175.52 173.36 1gpx h ASP 58 N 0.00 0.00 0.00 5.36 2.03 -1.78 -3.32 116.42 118.71 1gpx h ASP 58 Ca -0.02 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.26 1gpx h ASP 58 Cb 1.74 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.24 1gpx h ASP 58 CO 0.12 0.56 -0.09 0.11 -1.03 0.00 0.00 179.24 178.91 1gpx h LYS 59 N 0.00 0.00 -6.05 4.15 1.79 -1.80 -3.47 116.57 111.19 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 1.25 0.00 0.20 0.00 -1.58 0.00 0.00 32.23 32.11 1gpx h LYS 59 CO 0.07 0.76 -1.34 1.33 -1.08 0.00 0.00 179.45 179.19 1gpx n VAL 60 N -4.64 0.14 -0.90 0.50 0.24 -0.98 -4.89 118.33 107.81 1gpx n VAL 60 Ca -0.09 -0.49 -0.29 0.00 -2.04 0.00 0.00 64.34 61.43 1gpx n VAL 60 Cb 0.38 -0.06 0.20 0.00 -1.47 0.00 0.00 33.84 32.89 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 -1.49 0.02 -0.10 7.34 0.04 -1.26 -4.96 135.00 134.59 1gpx s PRO 61 Ca 0.52 0.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 1gpx s PRO 61 Cb -0.38 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1gpx s PRO 61 CO 0.71 -3.07 0.98 0.00 0.04 0.00 0.00 177.00 175.66 1gpx s ALA 62 N -2.74 3.39 1.05 8.56 0.00 -1.26 -4.98 121.76 125.77 1gpx s ALA 62 Ca 0.66 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 1gpx s ALA 62 Cb -0.21 -3.39 0.21 0.00 0.00 0.00 0.00 23.12 19.73 1gpx s ALA 62 CO 0.60 -0.55 1.09 0.00 0.00 0.00 0.00 175.76 176.90 1gpx s ALA 63 N 1.88 0.76 0.16 0.00 0.00 -1.26 -5.06 121.76 118.23 1gpx s ALA 63 Ca 0.47 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1gpx s ALA 63 Cb -0.18 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1gpx s ALA 63 CO 0.18 -3.04 0.00 0.27 0.00 0.00 0.00 175.76 173.17 1gpx n ASN 64 N -4.33 0.00 0.20 0.00 0.23 -1.26 -4.96 115.26 105.13 1gpx n ASN 64 Ca 0.06 -0.17 0.07 0.00 -0.53 0.00 0.00 54.58 54.01 1gpx n ASN 64 Cb 0.58 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.61 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 -0.49 -3.83 -0.00 -1.98 -3.15 114.58 105.13 1gpx h GLU 65 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 1gpx h GLU 65 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.73 1gpx h GLU 65 CO 0.00 0.32 0.11 0.00 -0.00 0.00 0.00 179.01 179.44 1gpx h ARG 66 N 0.00 0.80 0.00 1.06 3.08 -1.88 -1.05 114.38 116.39 1gpx h ARG 66 Ca -0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1gpx h ARG 66 Cb 0.91 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1gpx h ARG 66 CO 0.04 0.78 0.00 -1.91 -1.07 0.00 0.00 179.97 177.81 1gpx n GLU 67 N -4.46 0.10 -0.04 0.04 4.07 -1.19 -2.28 120.64 116.89 1gpx n GLU 67 Ca 0.01 0.23 -0.09 0.00 -0.06 0.00 0.00 57.16 57.26 1gpx n GLU 67 Cb 0.23 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 29.96 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 -1.35 1.57 -0.03 6.31 -0.00 -0.41 -3.78 119.36 121.68 1gpx n ILE 68 Ca 0.04 -0.80 -0.01 0.00 -0.00 0.00 0.00 62.75 61.98 1gpx n ILE 68 Cb 0.09 -0.95 -0.00 0.00 -0.00 0.00 0.00 39.64 38.78 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 3.56 0.00 -0.12 7.39 0.00 -1.31 -3.12 103.07 109.47 1gpx h GLY 69 Ca -0.33 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.15 1gpx h GLY 69 CO 0.07 0.00 0.09 1.98 0.00 0.00 0.00 176.54 178.68 1gpx h MET 70 N -0.51 0.18 -0.15 4.80 1.85 -1.81 0.81 114.93 120.11 1gpx h MET 70 Ca 0.00 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.12 1gpx h MET 70 Cb 0.10 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.09 1gpx h MET 70 CO 0.00 0.12 0.18 1.25 -0.40 0.00 0.00 176.91 178.06 1gpx h LEU 71 N 0.19 0.00 0.10 3.39 6.46 -1.72 -0.21 115.31 123.51 1gpx h LEU 71 Ca 0.38 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.82 1gpx h LEU 71 Cb 0.65 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 1gpx h LEU 71 CO -0.54 0.00 -1.77 -0.08 -0.62 0.00 0.00 178.44 175.43 1gpx h GLU 72 N 0.00 0.21 -1.05 1.25 4.81 0.61 -3.31 114.58 117.09 1gpx h GLU 72 Ca 0.07 -0.36 0.29 0.00 -0.13 0.00 0.00 59.36 59.23 1gpx h GLU 72 Cb 0.42 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1gpx h GLU 72 CO -0.00 1.03 0.73 0.00 -0.73 0.00 0.00 179.01 180.04 1gpx n VAL 74 N -4.34 4.77 -1.40 0.00 0.24 -1.11 -4.93 118.33 111.56 1gpx n VAL 74 Ca 0.23 -4.41 -0.13 0.00 -2.04 0.00 0.00 64.34 57.99 1gpx n VAL 74 Cb 1.04 -2.22 -0.11 0.00 -1.47 0.00 0.00 33.84 31.07 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 2.55 0.00 -3.28 3.34 5.66 -0.69 -4.71 114.28 117.15 1gpx n THR 75 Ca 0.49 -0.40 -0.25 0.00 -3.05 0.00 0.00 64.05 60.84 1gpx n THR 75 Cb 0.31 -0.89 -0.07 0.00 -1.55 0.00 0.00 70.33 68.13 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 11.42 3.24 -4.36 1.79 0.00 -1.26 -4.47 120.51 126.87 1gpx n ALA 76 Ca 0.40 -4.07 -0.35 0.00 0.00 0.00 0.00 53.44 49.43 1gpx n ALA 76 Cb 0.37 -0.85 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 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 1.03 -0.86 -0.29 0.00 -0.00 -1.26 -4.62 120.64 114.64 1gpx n GLU 77 Ca 0.26 0.11 -0.11 0.00 -0.00 0.00 0.00 57.16 57.42 1gpx n GLU 77 Cb 0.48 -3.93 -0.01 0.00 -0.00 0.00 0.00 31.44 27.98 1gpx n GLU 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1gpx n LEU 78 N -4.32 -0.12 -4.80 -1.84 7.94 -1.26 -4.93 117.00 107.67 1gpx n LEU 78 Ca -0.16 0.23 -0.22 0.00 -1.11 0.00 0.00 56.01 54.74 1gpx n LEU 78 Cb 0.60 -0.18 -0.05 0.00 0.53 0.00 0.00 43.42 44.31 1gpx n LEU 78 CO 0.88 -0.48 -0.11 -0.54 -1.11 0.00 0.00 177.39 176.03 1gpx s LYS 79 N -0.10 2.43 0.38 1.96 1.02 -1.26 -4.99 119.74 119.18 1gpx s LYS 79 Ca 0.15 -1.59 0.15 0.00 0.02 0.00 0.00 55.97 54.70 1gpx s LYS 79 Cb -0.22 -2.23 0.77 0.00 -0.52 0.00 0.00 37.83 35.63 1gpx s LYS 79 CO 0.11 -0.05 1.82 -1.00 -0.92 0.00 0.00 175.35 175.32 1gpx h PRO 80 N 1.31 0.00 0.00 -1.68 0.13 -2.01 -2.74 132.00 127.02 1gpx h PRO 80 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1gpx h PRO 80 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1gpx h PRO 80 CO 0.62 0.36 -1.05 0.27 -0.23 0.00 0.00 178.00 177.98 1gpx n ASN 81 N -3.94 0.75 -4.40 1.44 6.94 -1.26 -4.98 115.26 109.80 1gpx n ASN 81 Ca -0.02 -0.64 -0.36 0.00 -0.02 0.00 0.00 54.58 53.54 1gpx n ASN 81 Cb 0.42 0.97 0.06 0.00 -2.36 0.00 0.00 39.78 38.87 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 -1.67 -1.86 -3.60 0.53 7.64 -1.04 -4.27 113.62 109.36 1gpx n SER 82 Ca 0.03 0.57 -0.04 0.00 1.01 0.00 0.00 58.87 60.43 1gpx n SER 82 Cb 0.38 -1.14 -0.02 0.00 -1.01 0.00 0.00 64.21 62.42 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 -2.49 0.28 0.31 1.43 3.52 -0.41 -4.92 118.95 116.69 1gpx s ARG 83 Ca 0.62 -0.08 -0.27 0.00 -0.13 0.00 0.00 55.73 55.87 1gpx s ARG 83 Cb -0.35 0.13 -0.09 0.00 -1.56 0.00 0.00 34.95 33.07 1gpx s ARG 83 CO 0.61 -0.12 1.03 -1.17 -0.81 0.00 0.00 175.30 174.84 1gpx s LEU 84 N -2.00 4.42 0.59 -0.88 0.20 -1.26 0.13 118.68 119.88 1gpx s LEU 84 Ca 0.09 2.08 0.31 0.00 0.69 0.00 0.00 54.13 57.30 1gpx s LEU 84 Cb -0.01 -3.84 1.24 0.00 -0.43 0.00 0.00 46.19 43.15 1gpx s LEU 84 CO -0.05 -0.18 1.57 0.77 -0.29 0.00 0.00 176.35 178.17 1gpx h SER 85 N 3.39 0.00 -0.65 3.68 4.64 0.46 0.90 113.55 125.97 1gpx h SER 85 Ca -0.47 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.52 1gpx h SER 85 Cb 1.21 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.10 1gpx h SER 85 CO 0.65 0.00 0.42 0.00 -0.87 0.00 0.00 176.83 177.04 1gpx n GLN 87 N -0.56 0.45 -3.48 0.00 -0.06 0.31 -3.78 117.38 110.27 1gpx n GLN 87 Ca 0.39 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 55.02 1gpx n GLN 87 Cb 1.26 -0.84 -0.06 0.00 -4.06 0.00 0.00 30.24 26.55 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 -1.67 4.99 0.39 1.69 1.01 -1.25 -4.84 121.20 121.52 1gpx s ILE 88 Ca 0.00 0.74 0.08 0.00 0.00 0.00 0.00 60.65 61.47 1gpx s ILE 88 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1gpx s ILE 88 CO 0.00 0.41 0.24 -0.63 0.00 0.00 0.00 174.94 174.95 1gpx s ILE 89 N -1.27 2.71 -0.33 2.92 -1.09 -1.26 -2.75 121.20 120.13 1gpx s ILE 89 Ca 0.30 -1.56 -0.06 0.00 -2.23 0.00 0.00 60.65 57.10 1gpx s ILE 89 Cb -0.16 -3.01 0.04 0.00 -1.58 0.00 0.00 42.46 37.75 1gpx s ILE 89 CO 0.17 -0.07 0.09 -0.32 -1.23 0.00 0.00 174.94 173.58 1gpx s MET 90 N -3.96 2.66 0.54 2.79 1.75 0.51 -4.81 119.30 118.78 1gpx s MET 90 Ca 0.42 -1.14 -0.02 0.00 -1.25 0.00 0.00 55.69 53.69 1gpx s MET 90 Cb -0.01 -3.42 0.01 0.00 2.84 0.00 0.00 34.83 34.25 1gpx s MET 90 CO 0.24 -0.63 0.80 0.95 -0.65 0.00 0.00 175.02 175.73 1gpx s THR 91 N 1.40 3.58 -1.36 10.11 -4.23 -1.26 -1.23 115.64 122.65 1gpx s THR 91 Ca -0.01 -0.30 0.19 0.00 -1.18 0.00 0.00 61.69 60.39 1gpx s THR 91 Cb -0.19 -3.38 0.31 0.00 1.34 0.00 0.00 72.50 70.58 1gpx s THR 91 CO 0.02 -0.32 1.60 -0.81 -0.54 0.00 0.00 174.62 174.57 1gpx n PRO 92 N -2.37 0.23 -0.04 3.99 -0.04 -1.26 -3.13 135.00 132.38 1gpx n PRO 92 Ca 0.04 0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1gpx n PRO 92 Cb 0.58 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.32 2.07 -1.98 0.54 0.28 -1.26 -4.65 120.64 114.33 1gpx n GLU 93 Ca 0.08 -0.02 -0.37 0.00 -0.16 0.00 0.00 57.16 56.70 1gpx n GLU 93 Cb 0.16 -1.25 -0.01 0.00 1.43 0.00 0.00 31.44 31.77 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 -2.29 7.41 -4.90 -1.84 4.77 -1.18 -4.96 117.00 114.00 1gpx n LEU 94 Ca -0.14 -4.77 -0.32 0.00 -0.03 0.00 0.00 56.01 50.76 1gpx n LEU 94 Cb 0.74 -1.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 1gpx n LEU 94 CO 0.21 1.93 -0.16 1.51 -1.33 0.00 0.00 177.39 179.55 1gpx s ASP 95 N -0.20 6.28 0.00 -1.43 1.47 -1.26 -4.51 116.67 117.03 1gpx s ASP 95 Ca 0.52 0.26 0.00 0.00 1.18 0.00 0.00 52.55 54.51 1gpx s ASP 95 Cb 0.27 -1.93 0.00 0.00 -0.34 0.00 0.00 42.92 40.93 1gpx s ASP 95 CO -0.18 0.19 0.00 0.61 0.68 0.00 0.00 175.17 176.47 1gpx n GLY 96 N 0.48 1.34 3.88 2.12 0.00 0.31 -4.64 105.19 108.67 1gpx n GLY 96 Ca -0.07 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.11 4.76 -0.15 -0.61 2.07 0.54 -4.91 121.20 120.79 1gpx s ILE 97 Ca 0.00 0.67 0.01 0.00 -1.41 0.00 0.00 60.65 59.92 1gpx s ILE 97 Cb 0.00 -3.80 0.00 0.00 0.13 0.00 0.00 42.46 38.79 1gpx s ILE 97 CO 0.00 -0.79 -0.18 -0.69 -1.91 0.00 0.00 174.94 171.37 1gpx s VAL 98 N -2.71 2.42 0.46 4.00 1.01 -1.26 -1.50 120.40 122.81 1gpx s VAL 98 Ca 0.52 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1gpx s VAL 98 Cb -0.10 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.33 1gpx s VAL 98 CO 0.40 0.53 0.51 0.52 0.00 0.00 0.00 175.10 177.06 1gpx n VAL 99 N 4.12 0.00 -3.58 2.92 0.31 0.19 -0.29 118.33 122.01 1gpx n VAL 99 Ca -0.19 -1.65 -0.15 0.00 -0.01 0.00 0.00 64.34 62.33 1gpx n VAL 99 Cb 0.51 -0.39 -0.06 0.00 -0.91 0.00 0.00 33.84 32.99 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 -3.78 -0.62 -0.39 4.52 1.01 0.76 -3.03 116.67 115.14 1gpx s ASP 100 Ca 0.39 0.91 -0.16 0.00 0.71 0.00 0.00 52.55 54.40 1gpx s ASP 100 Cb -0.03 0.82 0.01 0.00 1.01 0.00 0.00 42.92 44.73 1gpx s ASP 100 CO 0.24 -0.41 0.35 -0.69 0.21 0.00 0.00 175.17 174.88 1gpx s VAL 101 N -0.54 5.18 0.20 -1.27 1.01 0.84 0.33 120.40 126.16 1gpx s VAL 101 Ca -0.05 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1gpx s VAL 101 Cb -0.02 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1gpx s VAL 101 CO 0.04 -0.26 1.38 -2.16 0.00 0.00 0.00 175.10 174.10 1gpx s PRO 102 N 1.91 4.33 -0.36 2.72 0.04 -1.26 -3.42 135.00 138.96 1gpx s PRO 102 Ca 0.09 2.16 -0.06 0.00 0.04 0.00 0.00 61.00 63.23 1gpx s PRO 102 Cb -0.18 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 31.26 1gpx s PRO 102 CO 0.12 -0.35 0.15 0.16 0.04 0.00 0.00 177.00 177.11 1gpx s ASP 103 N 0.48 5.32 -0.41 6.66 -4.77 -1.26 -4.96 116.67 117.74 1gpx s ASP 103 Ca 0.59 -1.40 -0.15 0.00 -3.30 0.00 0.00 52.55 48.29 1gpx s ASP 103 Cb -0.39 -1.87 0.02 0.00 -1.09 0.00 0.00 42.92 39.59 1gpx s ASP 103 CO 0.39 -0.41 0.33 -0.13 0.70 0.00 0.00 175.17 176.05 1gpx s ARG 104 N 1.34 3.05 0.00 2.11 3.00 -1.26 -4.87 118.95 122.32 1gpx s ARG 104 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 55.73 54.82 1gpx s ARG 104 Cb -0.21 -3.96 0.00 0.00 0.00 0.00 0.00 34.95 30.78 1gpx s ARG 104 CO 0.01 -0.75 0.00 0.94 0.00 0.00 0.00 175.30 175.50 1gpx n GLN 105 N 5.27 3.82 0.00 3.54 7.27 -1.26 -4.93 117.38 131.08 1gpx n GLN 105 Ca -0.10 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.02 1gpx n GLN 105 Cb 0.47 0.00 0.29 0.00 2.41 0.00 0.00 30.24 33.42 1gpx n GLN 105 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04