#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gzp s ILE 1 N 0.00 3.21 -0.12 1.12 -4.36 -1.26 -5.11 121.20 114.67 1gzp s ILE 1 Ca 0.00 -0.36 -0.02 0.00 -0.26 0.00 0.00 60.65 60.01 1gzp s ILE 1 Cb 0.00 -3.25 0.04 0.00 1.25 0.00 0.00 42.46 40.50 1gzp s ILE 1 CO 0.00 -0.21 0.02 -1.10 0.24 0.00 0.00 174.94 173.88 1gzp s GLN 2 N -4.86 0.64 -0.06 0.37 -0.21 -1.26 -4.35 119.66 109.92 1gzp s GLN 2 Ca 0.55 -0.12 0.04 0.00 0.02 0.00 0.00 55.36 55.85 1gzp s GLN 2 Cb -0.10 -1.47 -0.02 0.00 1.00 0.00 0.00 33.01 32.42 1gzp s GLN 2 CO 0.41 -0.45 -0.19 1.03 -2.12 0.00 0.00 175.29 173.97 1gzp s ARG 3 N 1.93 2.63 0.24 2.91 0.52 -0.33 -4.95 118.95 121.89 1gzp s ARG 3 Ca 0.03 -0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 1gzp s ARG 3 Cb -0.14 -2.30 -0.09 0.00 0.52 0.00 0.00 34.95 32.93 1gzp s ARG 3 CO -0.07 0.46 0.98 0.99 0.02 0.00 0.00 175.30 177.68 1gzp s THR 4 N -0.32 3.97 0.31 0.02 2.01 -1.26 -2.80 115.64 117.58 1gzp s THR 4 Ca 0.02 1.96 -0.29 0.00 0.31 0.00 0.00 61.69 63.69 1gzp s THR 4 Cb -0.13 -4.25 -0.10 0.00 0.01 0.00 0.00 72.50 68.04 1gzp s THR 4 CO 0.02 0.46 1.18 -2.16 -0.69 0.00 0.00 174.62 173.43 1gzp s PRO 5 N -1.14 4.49 -0.06 4.92 0.04 -1.26 -4.39 135.00 137.59 1gzp s PRO 5 Ca 0.42 1.95 -0.22 0.00 0.04 0.00 0.00 61.00 63.20 1gzp s PRO 5 Cb -0.27 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1gzp s PRO 5 CO 0.34 0.02 0.63 0.21 0.04 0.00 0.00 177.00 178.24 1gzp s LYS 6 N -1.66 4.39 -0.24 4.56 2.20 0.20 -4.88 119.74 124.32 1gzp s LYS 6 Ca 0.47 0.76 -0.01 0.00 -0.36 0.00 0.00 55.97 56.83 1gzp s LYS 6 Cb -0.34 -3.42 0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1gzp s LYS 6 CO 0.45 0.15 -0.09 0.42 -0.36 0.00 0.00 175.35 175.92 1gzp s ILE 7 N 0.53 2.64 -0.20 5.43 1.01 -1.26 -1.48 121.20 127.88 1gzp s ILE 7 Ca 0.34 -1.11 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 1gzp s ILE 7 Cb -0.17 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1gzp s ILE 7 CO 0.16 0.21 -0.12 -1.10 0.00 0.00 0.00 174.94 174.10 1gzp s GLN 8 N 1.28 3.21 -0.16 2.79 -0.21 -0.79 -4.98 119.66 120.80 1gzp s GLN 8 Ca -0.01 -0.72 -0.04 0.00 0.02 0.00 0.00 55.36 54.61 1gzp s GLN 8 Cb -0.17 -2.79 -0.03 0.00 1.00 0.00 0.00 33.01 31.03 1gzp s GLN 8 CO -0.06 -0.17 -0.02 0.08 -2.12 0.00 0.00 175.29 173.00 1gzp s VAL 9 N 1.30 3.99 0.03 1.09 1.01 -1.26 -1.18 120.40 125.39 1gzp s VAL 9 Ca 0.04 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 1gzp s VAL 9 Cb -0.14 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.54 1gzp s VAL 9 CO -0.06 0.49 0.58 -0.72 0.00 0.00 0.00 175.10 175.38 1gzp s TYR 10 N 0.40 -0.51 0.07 5.22 1.13 -0.54 -4.77 117.35 118.36 1gzp s TYR 10 Ca -0.03 0.65 -0.03 0.00 -1.41 0.00 0.00 57.07 56.25 1gzp s TYR 10 Cb -0.14 0.39 -0.05 0.00 -1.10 0.00 0.00 41.96 41.06 1gzp s TYR 10 CO 0.03 -0.66 0.27 -1.54 -2.51 0.00 0.00 175.55 171.14 1gzp s SER 11 N -1.82 6.43 0.18 -0.18 1.04 -1.26 -0.26 113.70 117.82 1gzp s SER 11 Ca -0.06 0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.70 1gzp s SER 11 Cb -0.01 -2.03 0.06 0.00 0.10 0.00 0.00 66.02 64.14 1gzp s SER 11 CO 0.00 0.15 1.64 -0.09 0.98 0.00 0.00 173.24 175.93 1gzp h ARG 12 N 3.23 1.05 -6.31 4.02 2.43 -1.48 -3.45 114.38 113.86 1gzp h ARG 12 Ca -0.47 -0.33 -0.62 0.00 -0.81 0.00 0.00 59.98 57.75 1gzp h ARG 12 Cb 1.17 -0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 30.47 1gzp h ARG 12 CO 0.72 1.02 -0.78 -1.01 -1.51 0.00 0.00 179.97 178.42 1gzp s HIS 13 N -5.03 2.29 0.35 2.20 3.76 -1.26 -5.04 115.29 112.55 1gzp s HIS 13 Ca -0.12 -0.34 -0.28 0.00 -0.15 0.00 0.00 55.06 54.17 1gzp s HIS 13 Cb 0.13 -1.03 -0.11 0.00 1.11 0.00 0.00 32.58 32.69 1gzp s HIS 13 CO 0.85 0.66 1.40 -1.25 -0.85 0.00 0.00 174.74 175.56 1gzp s PRO 14 N -3.30 4.23 -0.28 8.40 0.04 -1.26 -4.91 135.00 137.91 1gzp s PRO 14 Ca 0.28 2.39 -0.28 0.00 0.04 0.00 0.00 61.00 63.43 1gzp s PRO 14 Cb -0.06 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.43 1gzp s PRO 14 CO 0.14 -0.36 2.00 0.00 0.04 0.00 0.00 177.00 178.81 1gzp s ALA 15 N -1.08 2.78 -0.24 8.56 0.00 -1.26 -4.96 121.76 125.56 1gzp s ALA 15 Ca 0.51 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1gzp s ALA 15 Cb -0.43 -4.05 0.06 0.00 0.00 0.00 0.00 23.12 18.70 1gzp s ALA 15 CO 0.57 -2.74 -0.05 -2.00 0.00 0.00 0.00 175.76 171.55 1gzp s GLU 16 N 6.02 1.60 -0.19 0.00 2.12 -1.26 -5.10 118.70 121.89 1gzp s GLU 16 Ca 0.89 -1.02 -0.39 0.00 0.36 0.00 0.00 54.97 54.82 1gzp s GLU 16 Cb -0.27 -2.59 -0.15 0.00 0.26 0.00 0.00 34.13 31.38 1gzp s GLU 16 CO 0.34 -0.61 1.71 0.09 -0.54 0.00 0.00 175.26 176.25 1gzp n ASN 17 N 4.66 2.49 0.00 -1.70 3.02 -1.26 -1.86 115.26 120.61 1gzp n ASN 17 Ca -0.11 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 1gzp n ASN 17 Cb 0.44 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 1gzp n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gzp n GLY 18 N 3.99 3.30 3.83 7.41 0.00 0.53 -4.99 105.19 119.26 1gzp n GLY 18 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 1gzp n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gzp s LYS 19 N -0.60 4.13 0.47 1.61 2.20 -0.78 -4.90 119.74 121.88 1gzp s LYS 19 Ca 0.00 0.75 -0.22 0.00 -0.36 0.00 0.00 55.97 56.13 1gzp s LYS 19 Cb 0.00 -2.73 -0.07 0.00 -1.51 0.00 0.00 37.83 33.52 1gzp s LYS 19 CO 0.00 0.32 1.17 0.45 -0.36 0.00 0.00 175.35 176.93 1gzp s SER 20 N -1.88 6.09 0.37 1.43 0.15 -1.26 -3.96 113.70 114.63 1gzp s SER 20 Ca 0.46 2.31 -0.12 0.00 0.70 0.00 0.00 55.95 59.30 1gzp s SER 20 Cb -0.14 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 61.61 1gzp s SER 20 CO 0.20 -0.97 0.69 -3.20 1.20 0.00 0.00 173.24 171.16 1gzp n ASN 21 N -0.60 -2.01 -4.05 5.45 2.85 0.51 -5.00 115.26 112.42 1gzp n ASN 21 Ca 0.08 -2.58 -0.29 0.00 -0.11 0.00 0.00 54.58 51.68 1gzp n ASN 21 Cb 0.48 3.40 -0.17 0.00 1.24 0.00 0.00 39.78 44.73 1gzp n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1gzp s PHE 22 N -2.62 2.04 -0.12 1.20 0.08 -1.26 -0.56 117.98 116.73 1gzp s PHE 22 Ca 0.18 -1.02 -0.14 0.00 0.12 0.00 0.00 56.93 56.07 1gzp s PHE 22 Cb -0.04 -1.48 -0.05 0.00 -0.57 0.00 0.00 43.02 40.88 1gzp s PHE 22 CO 0.13 -0.54 0.33 -1.17 -0.10 0.00 0.00 175.22 173.87 1gzp s LEU 23 N 1.14 4.31 0.06 -0.37 2.96 -0.30 -1.06 118.68 125.41 1gzp s LEU 23 Ca -0.03 0.64 0.07 0.00 -0.22 0.00 0.00 54.13 54.59 1gzp s LEU 23 Cb -0.14 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 1gzp s LEU 23 CO -0.04 0.16 -0.20 0.20 -1.32 0.00 0.00 176.35 175.14 1gzp s ASN 24 N 0.05 2.41 -0.17 3.68 0.01 0.64 -2.37 114.94 119.19 1gzp s ASN 24 Ca 0.19 -0.56 -0.03 0.00 -0.71 0.00 0.00 52.86 51.76 1gzp s ASN 24 Cb -0.14 -0.18 0.05 0.00 0.41 0.00 0.00 41.25 41.40 1gzp s ASN 24 CO 0.07 0.12 0.03 0.00 -1.51 0.00 0.00 177.10 175.81 1gzp s TYR 26 N 1.91 3.20 -0.26 0.00 5.04 -0.32 -0.99 117.35 125.93 1gzp s TYR 26 Ca 0.01 -0.93 -0.09 0.00 -2.44 0.00 0.00 57.07 53.62 1gzp s TYR 26 Cb -0.16 -2.34 -0.04 0.00 0.35 0.00 0.00 41.96 39.77 1gzp s TYR 26 CO -0.07 -0.59 0.13 0.14 -1.34 0.00 0.00 175.55 173.82 1gzp s VAL 27 N 1.53 4.88 0.23 3.14 -7.23 -0.27 -1.88 120.40 120.80 1gzp s VAL 27 Ca 0.02 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 1gzp s VAL 27 Cb -0.18 -3.29 -0.04 0.00 0.56 0.00 0.00 36.38 33.43 1gzp s VAL 27 CO 0.05 0.31 0.14 -0.94 -0.31 0.00 0.00 175.10 174.35 1gzp s SER 28 N 1.52 0.59 -1.30 4.85 1.04 -0.55 -0.44 113.70 119.40 1gzp s SER 28 Ca 0.06 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1gzp s SER 28 Cb -0.15 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1gzp s SER 28 CO 0.07 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1gzp n GLY 29 N -0.36 0.77 3.83 7.32 0.00 -0.78 0.59 105.19 116.56 1gzp n GLY 29 Ca 0.02 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 1gzp n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gzp s PHE 30 N -2.56 3.14 -0.29 1.61 -0.71 -1.14 -4.36 117.98 113.67 1gzp s PHE 30 Ca 0.00 -0.10 -0.15 0.00 -1.04 0.00 0.00 56.93 55.64 1gzp s PHE 30 Cb 0.00 -1.42 0.10 0.00 -1.21 0.00 0.00 43.02 40.50 1gzp s PHE 30 CO 0.00 0.52 0.73 -1.58 -1.34 0.00 0.00 175.22 173.55 1gzp s HIS 31 N -2.11 -1.06 1.11 3.49 2.46 -1.12 -0.72 115.29 117.34 1gzp s HIS 31 Ca 0.33 2.02 -0.18 0.00 0.47 0.00 0.00 55.06 57.70 1gzp s HIS 31 Cb -0.08 0.63 0.25 0.00 -0.13 0.00 0.00 32.58 33.25 1gzp s HIS 31 CO 0.25 -0.52 1.19 -2.14 -2.47 0.00 0.00 174.74 171.05 1gzp s PRO 32 N 1.94 -0.47 0.14 2.88 0.02 -1.26 -1.19 135.00 137.06 1gzp s PRO 32 Ca -0.09 -0.18 -0.13 0.00 0.02 0.00 0.00 61.00 60.62 1gzp s PRO 32 Cb -0.07 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1gzp s PRO 32 CO -0.19 -3.19 1.60 0.66 -0.33 0.00 0.00 177.00 175.55 1gzp h SER 33 N -2.21 0.77 -0.19 2.53 4.64 -2.00 -3.45 113.55 113.65 1gzp h SER 33 Ca -0.45 -0.29 -0.71 0.00 -0.47 0.00 0.00 61.79 59.86 1gzp h SER 33 Cb 1.27 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 63.11 1gzp h SER 33 CO 0.36 0.87 1.40 0.47 -0.87 0.00 0.00 176.83 179.07 1gzp n ASP 34 N -4.40 0.92 -3.75 4.97 8.00 -1.26 -4.92 116.55 116.11 1gzp n ASP 34 Ca 0.00 0.55 -0.13 0.00 0.71 0.00 0.00 54.79 55.92 1gzp n ASP 34 Cb 0.29 -0.97 -0.09 0.00 -0.02 0.00 0.00 41.12 40.33 1gzp n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1gzp s ILE 35 N 6.71 0.04 -0.17 0.53 2.07 -1.26 -4.63 121.20 124.49 1gzp s ILE 35 Ca 1.20 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 60.08 1gzp s ILE 35 Cb -1.35 -0.61 0.03 0.00 0.13 0.00 0.00 42.46 40.66 1gzp s ILE 35 CO 0.60 -0.20 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.60 1gzp s GLU 36 N -1.04 2.31 -0.03 3.50 2.56 -0.84 -5.02 118.70 120.14 1gzp s GLU 36 Ca -0.11 -0.69 0.05 0.00 0.00 0.00 0.00 54.97 54.22 1gzp s GLU 36 Cb -0.04 -2.27 -0.01 0.00 2.00 0.00 0.00 34.13 33.80 1gzp s GLU 36 CO 0.04 -0.30 -0.18 0.08 -0.56 0.00 0.00 175.26 174.34 1gzp s VAL 37 N 1.43 1.47 0.07 3.70 1.01 -1.26 -0.35 120.40 126.46 1gzp s VAL 37 Ca 0.03 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1gzp s VAL 37 Cb -0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1gzp s VAL 37 CO -0.10 0.42 -0.12 -1.81 0.00 0.00 0.00 175.10 173.49 1gzp s ASP 38 N -0.25 1.40 -0.22 3.32 1.01 0.26 -5.01 116.67 117.19 1gzp s ASP 38 Ca 0.03 -0.64 -0.05 0.00 0.71 0.00 0.00 52.55 52.60 1gzp s ASP 38 Cb -0.09 -0.01 -0.02 0.00 1.01 0.00 0.00 42.92 43.81 1gzp s ASP 38 CO 0.00 -0.15 -0.01 -0.76 0.21 0.00 0.00 175.17 174.46 1gzp s LEU 39 N -1.85 3.12 0.09 1.23 1.43 -1.26 -0.67 118.68 120.76 1gzp s LEU 39 Ca -0.03 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1gzp s LEU 39 Cb -0.08 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1gzp s LEU 39 CO 0.01 0.01 0.23 -0.76 0.23 0.00 0.00 176.35 176.07 1gzp s LEU 40 N 1.31 4.32 -0.29 1.79 1.43 -0.14 -1.26 118.68 125.83 1gzp s LEU 40 Ca 0.04 0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1gzp s LEU 40 Cb -0.15 -2.91 0.09 0.00 0.03 0.00 0.00 46.19 43.25 1gzp s LEU 40 CO 0.00 0.13 0.06 -0.75 0.23 0.00 0.00 176.35 176.02 1gzp s LYS 41 N -2.74 0.92 -1.64 1.70 2.20 0.65 -2.54 119.74 118.29 1gzp s LYS 41 Ca 0.34 -1.06 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 1gzp s LYS 41 Cb -0.12 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 1gzp s LYS 41 CO 0.28 -0.88 0.00 0.09 -0.36 0.00 0.00 175.35 174.48 1gzp n ASN 42 N 4.78 -5.42 0.00 1.43 3.02 0.36 -1.83 115.26 117.60 1gzp n ASN 42 Ca -0.04 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1gzp n ASN 42 Cb 0.43 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 1gzp n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gzp n GLY 43 N -0.93 2.47 3.56 7.41 0.00 -1.26 -5.06 105.19 111.37 1gzp n GLY 43 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1gzp n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gzp s GLU 44 N -0.67 3.00 0.38 1.61 2.02 -0.76 -5.01 118.70 119.26 1gzp s GLU 44 Ca 0.00 -0.54 -0.28 0.00 0.02 0.00 0.00 54.97 54.17 1gzp s GLU 44 Cb 0.00 -2.67 -0.10 0.00 0.10 0.00 0.00 34.13 31.46 1gzp s GLU 44 CO 0.00 0.55 1.40 -0.98 0.02 0.00 0.00 175.26 176.25 1gzp s ARG 45 N -0.50 4.11 0.12 1.61 1.70 -1.26 -0.25 118.95 124.48 1gzp s ARG 45 Ca 0.07 2.40 -0.23 0.00 -0.47 0.00 0.00 55.73 57.51 1gzp s ARG 45 Cb -0.12 -2.94 -0.07 0.00 -0.57 0.00 0.00 34.95 31.25 1gzp s ARG 45 CO 0.02 -0.46 0.69 0.42 -1.08 0.00 0.00 175.30 174.89 1gzp s ILE 46 N -1.15 4.55 -0.03 4.99 1.01 -0.39 -4.86 121.20 125.32 1gzp s ILE 46 Ca 0.53 1.50 -0.13 0.00 0.00 0.00 0.00 60.65 62.55 1gzp s ILE 46 Cb -0.43 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 37.92 1gzp s ILE 46 CO 0.58 0.52 0.62 -0.08 0.00 0.00 0.00 174.94 176.58 1gzp h GLU 47 N 4.57 -0.45 -5.37 2.79 4.57 -1.95 -3.42 114.58 115.31 1gzp h GLU 47 Ca -0.48 0.03 -0.65 0.00 -1.18 0.00 0.00 59.36 57.09 1gzp h GLU 47 Cb 1.21 0.10 -0.15 0.00 -0.16 0.00 0.00 28.75 29.75 1gzp h GLU 47 CO 0.66 -0.30 0.80 0.15 -1.18 0.00 0.00 179.01 179.13 1gzp s LYS 48 N -3.13 3.38 -0.12 1.92 3.01 -1.26 -4.97 119.74 118.56 1gzp s LYS 48 Ca -0.07 -1.25 -0.00 0.00 -1.01 0.00 0.00 55.97 53.64 1gzp s LYS 48 Cb 0.01 -4.66 0.02 0.00 -1.01 0.00 0.00 37.83 32.19 1gzp s LYS 48 CO 0.21 -1.86 -0.09 0.08 0.51 0.00 0.00 175.35 174.19 1gzp s VAL 49 N 3.64 1.18 0.25 3.17 1.01 -1.26 -4.78 120.40 123.60 1gzp s VAL 49 Ca 0.30 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1gzp s VAL 49 Cb -0.09 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1gzp s VAL 49 CO -0.01 0.39 0.48 -1.61 0.00 0.00 0.00 175.10 174.36 1gzp s GLU 50 N 1.64 3.58 -0.02 2.72 8.01 -0.82 -4.94 118.70 128.87 1gzp s GLU 50 Ca 0.05 -0.15 -0.05 0.00 0.01 0.00 0.00 54.97 54.82 1gzp s GLU 50 Cb -0.13 -2.73 0.00 0.00 -4.31 0.00 0.00 34.13 26.97 1gzp s GLU 50 CO -0.09 0.30 0.12 -3.38 0.01 0.00 0.00 175.26 172.22 1gzp s HIS 51 N -1.99 -0.02 0.78 1.61 -3.43 -1.26 -1.79 115.29 109.19 1gzp s HIS 51 Ca 0.41 0.05 -0.12 0.00 -0.80 0.00 0.00 55.06 54.61 1gzp s HIS 51 Cb -0.11 -0.02 0.07 0.00 -1.43 0.00 0.00 32.58 31.09 1gzp s HIS 51 CO 0.29 -0.18 1.12 -1.54 -2.00 0.00 0.00 174.74 172.44 1gzp s SER 52 N -0.72 4.20 0.78 7.38 1.04 -0.92 -5.01 113.70 120.45 1gzp s SER 52 Ca -0.08 2.00 -0.11 0.00 0.48 0.00 0.00 55.95 58.24 1gzp s SER 52 Cb -0.05 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.59 1gzp s SER 52 CO 0.01 -2.24 1.08 -1.81 0.98 0.00 0.00 173.24 171.26 1gzp s ASP 53 N -2.94 4.54 0.30 7.02 1.01 -1.26 -4.79 116.67 120.55 1gzp s ASP 53 Ca 0.65 1.64 -0.30 0.00 0.71 0.00 0.00 52.55 55.25 1gzp s ASP 53 Cb -0.20 -2.39 -0.11 0.00 1.01 0.00 0.00 42.92 41.23 1gzp s ASP 53 CO 0.53 -1.99 1.60 -0.22 0.21 0.00 0.00 175.17 175.30 1gzp s LEU 54 N -5.86 4.34 0.11 1.23 2.96 -1.26 -4.94 118.68 115.26 1gzp s LEU 54 Ca 0.61 2.98 -0.05 0.00 -0.22 0.00 0.00 54.13 57.45 1gzp s LEU 54 Cb -0.16 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.87 1gzp s LEU 54 CO 0.56 -0.93 0.13 -0.55 -1.32 0.00 0.00 176.35 174.23 1gzp s SER 55 N 0.47 0.23 0.01 3.68 0.15 -1.22 -5.07 113.70 111.95 1gzp s SER 55 Ca 0.63 -0.95 -0.05 0.00 0.70 0.00 0.00 55.95 56.28 1gzp s SER 55 Cb -0.48 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 1gzp s SER 55 CO 0.49 -0.75 0.08 0.72 1.20 0.00 0.00 173.24 174.99 1gzp s PHE 56 N -3.96 0.11 0.72 3.44 -0.71 -1.26 -1.35 117.98 114.97 1gzp s PHE 56 Ca 0.14 -0.27 -0.08 0.00 -1.04 0.00 0.00 56.93 55.69 1gzp s PHE 56 Cb 0.06 -0.09 0.16 0.00 -1.21 0.00 0.00 43.02 41.93 1gzp s PHE 56 CO -0.04 -0.26 0.99 -1.13 -1.34 0.00 0.00 175.22 173.44 1gzp n SER 57 N 1.47 0.52 -0.16 1.98 3.41 -0.45 -4.95 113.62 115.44 1gzp n SER 57 Ca -0.23 -1.63 -0.02 0.00 -0.26 0.00 0.00 58.87 56.73 1gzp n SER 57 Cb 0.55 -0.71 0.07 0.00 -0.26 0.00 0.00 64.21 63.86 1gzp n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1gzp h LYS 58 N 0.00 0.20 -0.23 4.33 1.79 -2.03 -1.96 116.57 118.67 1gzp h LYS 58 Ca -0.32 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1gzp h LYS 58 Cb 0.99 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1gzp h LYS 58 CO 0.27 0.13 0.00 -0.40 -1.08 0.00 0.00 179.45 178.37 1gzp n ASP 59 N -5.15 0.23 0.00 0.86 5.75 -1.26 -4.83 116.55 112.15 1gzp n ASP 59 Ca 0.06 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 1gzp n ASP 59 Cb 0.26 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1gzp n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1gzp n TRP 60 N -0.29 0.00 -2.67 2.11 7.02 -0.74 -5.02 117.44 117.85 1gzp n TRP 60 Ca 0.00 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.11 1gzp n TRP 60 Cb 0.06 -0.78 -0.05 0.00 -2.42 0.00 0.00 31.31 28.12 1gzp n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1gzp s SER 61 N -2.36 7.10 0.38 -0.99 1.04 -1.26 -4.76 113.70 112.85 1gzp s SER 61 Ca 0.00 1.94 -0.17 0.00 0.48 0.00 0.00 55.95 58.20 1gzp s SER 61 Cb 0.00 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.44 1gzp s SER 61 CO 0.00 -0.25 0.83 -0.36 0.98 0.00 0.00 173.24 174.44 1gzp s PHE 62 N -1.62 3.36 0.00 5.02 0.08 0.11 -1.35 117.98 123.59 1gzp s PHE 62 Ca 0.53 1.35 -0.04 0.00 0.12 0.00 0.00 56.93 58.90 1gzp s PHE 62 Cb -0.21 -2.65 -0.01 0.00 -0.57 0.00 0.00 43.02 39.59 1gzp s PHE 62 CO 0.26 -0.03 0.06 1.52 -0.10 0.00 0.00 175.22 176.94 1gzp s TYR 63 N -2.13 0.10 -0.03 0.36 -0.85 -0.46 -1.86 117.35 112.48 1gzp s TYR 63 Ca 0.57 -0.22 -0.17 0.00 -0.52 0.00 0.00 57.07 56.73 1gzp s TYR 63 Cb -0.10 -0.09 0.03 0.00 0.38 0.00 0.00 41.96 42.18 1gzp s TYR 63 CO 0.18 -0.21 0.37 -0.51 -1.52 0.00 0.00 175.55 173.86 1gzp s LEU 64 N -1.16 0.61 -0.13 -3.49 1.43 0.41 -3.46 118.68 112.90 1gzp s LEU 64 Ca -0.13 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 1gzp s LEU 64 Cb -0.07 1.45 0.00 0.00 0.03 0.00 0.00 46.19 47.60 1gzp s LEU 64 CO 0.00 -0.44 -0.20 -0.22 0.23 0.00 0.00 176.35 175.72 1gzp s LEU 65 N -1.17 2.24 -0.15 1.79 2.96 -1.26 -1.11 118.68 121.98 1gzp s LEU 65 Ca -0.12 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1gzp s LEU 65 Cb -0.04 -1.47 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 1gzp s LEU 65 CO 0.05 0.12 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.73 1gzp s TYR 66 N 0.57 2.77 0.14 5.38 1.51 -0.16 -2.17 117.35 125.39 1gzp s TYR 66 Ca -0.12 -1.05 -0.00 0.00 -1.01 0.00 0.00 57.07 54.89 1gzp s TYR 66 Cb -0.17 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1gzp s TYR 66 CO 0.04 -0.48 0.03 1.52 -1.11 0.00 0.00 175.55 175.55 1gzp s TYR 67 N 0.81 0.96 -0.22 2.71 1.13 -0.74 -0.65 117.35 121.35 1gzp s TYR 67 Ca -0.05 -1.15 -0.27 0.00 -1.41 0.00 0.00 57.07 54.19 1gzp s TYR 67 Cb -0.15 -0.55 0.10 0.00 -1.10 0.00 0.00 41.96 40.26 1gzp s TYR 67 CO -0.00 -0.40 0.87 -0.08 -2.51 0.00 0.00 175.55 173.43 1gzp s THR 68 N -3.90 0.00 -0.79 -3.49 -1.32 -1.00 -1.94 115.64 103.19 1gzp s THR 68 Ca 0.23 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.45 1gzp s THR 68 Cb 0.07 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.10 1gzp s THR 68 CO 0.02 0.00 1.28 -0.70 -2.21 0.00 0.00 174.62 173.01 1gzp s GLU 69 N -0.18 3.26 0.49 7.08 2.12 -1.26 -1.15 118.70 129.07 1gzp s GLU 69 Ca -0.01 -0.49 0.06 0.00 0.36 0.00 0.00 54.97 54.89 1gzp s GLU 69 Cb -0.03 -4.42 0.01 0.00 0.26 0.00 0.00 34.13 29.95 1gzp s GLU 69 CO 0.00 -2.12 0.36 -0.59 -0.54 0.00 0.00 175.26 172.37 1gzp s PHE 70 N 5.38 2.05 -0.29 5.30 -0.71 0.27 -4.92 117.98 125.06 1gzp s PHE 70 Ca 0.36 -0.72 -0.01 0.00 -1.04 0.00 0.00 56.93 55.52 1gzp s PHE 70 Cb -0.07 -1.98 0.09 0.00 -1.21 0.00 0.00 43.02 39.85 1gzp s PHE 70 CO 0.09 -0.28 0.08 0.99 -1.34 0.00 0.00 175.22 174.77 1gzp s THR 71 N -2.67 0.80 0.27 -4.49 2.01 -1.26 -0.36 115.64 109.93 1gzp s THR 71 Ca 0.38 -1.21 -0.29 0.00 0.31 0.00 0.00 61.69 60.88 1gzp s THR 71 Cb -0.01 -1.53 -0.09 0.00 0.01 0.00 0.00 72.50 70.87 1gzp s THR 71 CO 0.23 -0.57 1.10 -2.16 -0.69 0.00 0.00 174.62 172.53 1gzp s PRO 72 N 1.67 4.64 0.24 4.92 0.04 -1.25 -4.88 135.00 140.38 1gzp s PRO 72 Ca 0.07 1.79 0.03 0.00 0.04 0.00 0.00 61.00 62.93 1gzp s PRO 72 Cb -0.17 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 1gzp s PRO 72 CO -0.22 0.21 0.10 0.25 0.04 0.00 0.00 177.00 177.37 1gzp n THR 73 N 1.30 0.00 0.00 1.26 -2.24 -1.26 -0.35 114.28 112.99 1gzp n THR 73 Ca -0.01 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 1gzp n THR 73 Cb 0.45 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1gzp n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gzp n GLU 74 N -0.54 0.00 0.00 -0.78 -0.58 -1.26 -3.96 120.64 113.52 1gzp n GLU 74 Ca -0.03 0.43 0.14 0.00 -0.42 0.00 0.00 57.16 57.28 1gzp n GLU 74 Cb 0.37 -1.21 0.46 0.00 -0.57 0.00 0.00 31.44 30.49 1gzp n GLU 74 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1gzp n LYS 75 N -1.44 1.36 -1.91 3.49 4.01 -1.26 -4.86 118.16 117.54 1gzp n LYS 75 Ca 0.00 -0.80 -0.38 0.00 -0.51 0.00 0.00 58.31 56.62 1gzp n LYS 75 Cb 0.00 -1.48 -0.03 0.00 -0.51 0.00 0.00 35.03 33.01 1gzp n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1gzp s ASP 76 N -2.19 5.10 0.03 4.39 1.01 -1.25 -4.96 116.67 118.79 1gzp s ASP 76 Ca 0.33 0.59 -0.23 0.00 0.71 0.00 0.00 52.55 53.95 1gzp s ASP 76 Cb 0.20 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.56 1gzp s ASP 76 CO 0.41 -2.46 0.69 -1.61 0.21 0.00 0.00 175.17 172.40 1gzp s GLU 77 N 7.26 4.41 0.19 8.23 2.02 -1.26 -4.73 118.70 134.83 1gzp s GLU 77 Ca 0.76 0.92 0.11 0.00 0.02 0.00 0.00 54.97 56.77 1gzp s GLU 77 Cb -0.14 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1gzp s GLU 77 CO 0.23 0.35 -0.23 0.71 0.02 0.00 0.00 175.26 176.34 1gzp s TYR 78 N -0.21 2.21 0.33 1.61 1.51 -1.26 -0.49 117.35 121.05 1gzp s TYR 78 Ca 0.35 -0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 55.89 1gzp s TYR 78 Cb -0.20 -1.08 0.03 0.00 -0.11 0.00 0.00 41.96 40.60 1gzp s TYR 78 CO 0.21 0.49 0.67 0.00 -1.11 0.00 0.00 175.55 175.80 1gzp s ALA 79 N -1.80 -0.54 -0.16 3.71 0.00 -1.05 -1.32 121.76 120.60 1gzp s ALA 79 Ca 0.20 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1gzp s ALA 79 Cb -0.07 0.86 0.04 0.00 0.00 0.00 0.00 23.12 23.94 1gzp s ALA 79 CO 0.10 -0.95 -0.05 0.00 0.00 0.00 0.00 175.76 174.86 1gzp s ARG 81 N 1.66 4.20 -0.06 0.00 3.52 0.15 -2.11 118.95 126.32 1gzp s ARG 81 Ca 0.01 -0.04 0.03 0.00 -0.13 0.00 0.00 55.73 55.60 1gzp s ARG 81 Cb -0.15 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.79 1gzp s ARG 81 CO -0.08 0.19 -0.14 0.08 -0.81 0.00 0.00 175.30 174.54 1gzp s VAL 82 N 0.64 1.23 -0.17 7.11 1.01 -0.22 -0.57 120.40 129.43 1gzp s VAL 82 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1gzp s VAL 82 Cb -0.13 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1gzp s VAL 82 CO 0.03 0.37 -0.17 0.20 0.00 0.00 0.00 175.10 175.53 1gzp s ASN 83 N 0.43 3.38 0.09 3.32 0.01 0.53 -1.41 114.94 121.29 1gzp s ASN 83 Ca -0.11 -0.57 -0.06 0.00 -0.71 0.00 0.00 52.86 51.40 1gzp s ASN 83 Cb -0.14 -1.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.98 1gzp s ASN 83 CO 0.03 0.03 0.14 -2.28 -1.51 0.00 0.00 177.10 173.51 1gzp s HIS 84 N 1.14 0.30 0.60 2.20 2.46 -1.26 -1.99 115.29 118.73 1gzp s HIS 84 Ca 0.01 -0.75 0.30 0.00 0.47 0.00 0.00 55.06 55.09 1gzp s HIS 84 Cb -0.14 -0.16 1.83 0.00 -0.13 0.00 0.00 32.58 33.98 1gzp s HIS 84 CO -0.07 -0.52 2.23 -0.24 -2.47 0.00 0.00 174.74 173.67 1gzp h VAL 85 N 2.83 0.49 0.00 0.89 3.04 -1.95 -1.97 116.25 119.58 1gzp h VAL 85 Ca -0.34 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.24 1gzp h VAL 85 Cb 1.19 0.97 -0.02 0.00 -2.01 0.00 0.00 31.29 31.42 1gzp h VAL 85 CO 0.58 0.00 -0.53 0.71 -1.01 0.00 0.00 177.57 177.32 1gzp h THR 86 N 0.00 0.95 -3.35 3.17 1.35 -1.93 -3.45 112.91 109.66 1gzp h THR 86 Ca 0.01 -2.22 -0.56 0.00 -0.55 0.00 0.00 66.41 63.10 1gzp h THR 86 Cb 0.09 2.38 -0.05 0.00 -1.73 0.00 0.00 68.15 68.85 1gzp h THR 86 CO -0.00 0.52 0.05 -0.76 -0.25 0.00 0.00 175.52 175.08 1gzp s LEU 87 N -6.59 4.45 0.02 3.87 1.43 -0.74 -4.98 118.68 116.14 1gzp s LEU 87 Ca 0.03 1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 54.25 1gzp s LEU 87 Cb 0.08 -3.03 -0.34 0.00 0.03 0.00 0.00 46.19 42.93 1gzp s LEU 87 CO 0.74 0.11 1.00 0.77 0.23 0.00 0.00 176.35 179.20 1gzp h SER 88 N 5.40 0.78 -4.55 2.29 4.64 -1.87 -3.44 113.55 116.79 1gzp h SER 88 Ca -0.46 -0.91 -0.38 0.00 -0.47 0.00 0.00 61.79 59.58 1gzp h SER 88 Cb 1.20 -0.25 -0.21 0.00 -0.31 0.00 0.00 62.40 62.83 1gzp h SER 88 CO 0.69 1.63 -0.77 0.00 -0.87 0.00 0.00 176.83 177.51 1gzp s GLN 89 N -2.64 0.74 0.24 4.77 -2.07 -1.26 -5.12 119.66 114.33 1gzp s GLN 89 Ca -0.10 -0.90 -0.31 0.00 -1.82 0.00 0.00 55.36 52.23 1gzp s GLN 89 Cb 0.04 -0.69 -0.13 0.00 -1.09 0.00 0.00 33.01 31.13 1gzp s GLN 89 CO 0.92 0.15 1.40 -0.35 -1.32 0.00 0.00 175.29 176.09 1gzp n PRO 90 N 1.34 2.03 -3.22 9.60 -0.04 -1.26 -4.96 135.00 138.49 1gzp n PRO 90 Ca -0.22 0.72 -0.39 0.00 -0.04 0.00 0.00 63.50 63.58 1gzp n PRO 90 Cb 0.54 -2.37 -0.06 0.00 -0.04 0.00 0.00 33.50 31.56 1gzp n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1gzp s LYS 91 N -0.48 4.21 -0.25 0.54 2.20 -0.50 -4.87 119.74 120.58 1gzp s LYS 91 Ca 0.67 0.46 -0.06 0.00 -0.36 0.00 0.00 55.97 56.69 1gzp s LYS 91 Cb -0.65 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 32.11 1gzp s LYS 91 CO 0.50 -0.14 0.03 0.96 -0.36 0.00 0.00 175.35 176.34 1gzp s ILE 92 N 1.61 3.87 -0.25 5.43 -0.00 -1.26 -1.06 121.20 129.54 1gzp s ILE 92 Ca 0.25 -0.43 -0.01 0.00 -0.00 0.00 0.00 60.65 60.46 1gzp s ILE 92 Cb -0.15 -2.85 0.03 0.00 -0.00 0.00 0.00 42.46 39.49 1gzp s ILE 92 CO 0.10 0.30 -0.06 -0.69 -0.00 0.00 0.00 174.94 174.59 1gzp s VAL 93 N 1.53 2.84 0.66 8.37 1.01 -0.90 -4.96 120.40 128.95 1gzp s VAL 93 Ca 0.05 -1.10 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 1gzp s VAL 93 Cb -0.15 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 1gzp s VAL 93 CO 0.01 0.15 1.10 -0.54 0.00 0.00 0.00 175.10 175.82 1gzp s LYS 94 N 1.30 2.84 -0.34 2.72 1.02 -1.26 -1.89 119.74 124.14 1gzp s LYS 94 Ca -0.01 1.34 -0.21 0.00 0.02 0.00 0.00 55.97 57.12 1gzp s LYS 94 Cb -0.17 -1.96 -0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1gzp s LYS 94 CO -0.04 -1.21 0.65 -0.46 -0.92 0.00 0.00 175.35 173.36 1gzp s TRP 95 N -2.40 3.17 -0.29 3.18 -0.00 -0.43 -4.86 118.94 117.30 1gzp s TRP 95 Ca 0.66 0.45 -0.08 0.00 -0.00 0.00 0.00 56.10 57.14 1gzp s TRP 95 Cb -0.20 -3.11 -0.00 0.00 -0.00 0.00 0.00 33.47 30.17 1gzp s TRP 95 CO 0.42 -0.58 0.10 0.34 -0.00 0.00 0.00 176.95 177.23 1gzp s ASP 96 N 1.74 5.27 0.24 5.86 3.68 -1.26 -4.75 116.67 127.45 1gzp s ASP 96 Ca 0.25 -0.57 -0.05 0.00 2.13 0.00 0.00 52.55 54.31 1gzp s ASP 96 Cb -0.15 -1.93 0.25 0.00 -1.45 0.00 0.00 42.92 39.65 1gzp s ASP 96 CO 0.14 -0.17 1.80 0.03 0.13 0.00 0.00 175.17 177.10 1gzp h ARG 97 N 8.28 1.07 -0.00 4.34 3.08 -1.97 -3.03 114.38 126.14 1gzp h ARG 97 Ca -0.33 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1gzp h ARG 97 Cb 1.14 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1gzp h ARG 97 CO 0.61 0.89 -0.05 -0.25 -1.07 0.00 0.00 179.97 180.09 1gzp n ASP 98 N -4.28 0.15 -0.40 7.04 9.92 -1.26 -4.92 116.55 122.81 1gzp n ASP 98 Ca 0.06 -0.21 0.14 0.00 -0.53 0.00 0.00 54.79 54.25 1gzp n ASP 98 Cb 0.20 -0.22 0.60 0.00 -0.64 0.00 0.00 41.12 41.05 1gzp n ASP 98 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13