#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gr7 s SER 4 N 0.00 1.56 -0.01 -3.46 1.04 -1.26 -1.24 113.70 110.33 1gr7 s SER 4 Ca 0.00 -1.33 -0.03 0.00 0.48 0.00 0.00 55.95 55.07 1gr7 s SER 4 Cb 0.00 0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.20 1gr7 s SER 4 CO 0.00 -0.65 0.06 0.54 0.98 0.00 0.00 173.24 174.18 1gr7 s VAL 5 N -3.59 0.04 -0.25 5.02 0.11 0.23 -4.91 120.40 117.05 1gr7 s VAL 5 Ca 0.35 -0.36 -0.08 0.00 -2.93 0.00 0.00 61.98 58.96 1gr7 s VAL 5 Cb 0.07 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.67 1gr7 s VAL 5 CO 0.12 -0.20 0.10 -1.81 -3.33 0.00 0.00 175.10 169.99 1gr7 s ASP 6 N -0.61 5.40 0.02 3.54 -0.00 -1.26 -1.07 116.67 122.68 1gr7 s ASP 6 Ca -0.07 -0.13 0.08 0.00 -0.00 0.00 0.00 52.55 52.44 1gr7 s ASP 6 Cb -0.04 -1.98 -0.02 0.00 -0.00 0.00 0.00 42.92 40.88 1gr7 s ASP 6 CO 0.00 -0.02 -0.25 -0.63 -0.00 0.00 0.00 175.17 174.27 1gr7 s ILE 7 N 1.53 2.01 -0.03 0.77 1.01 -0.22 -4.97 121.20 121.30 1gr7 s ILE 7 Ca 0.06 -1.22 0.08 0.00 0.00 0.00 0.00 60.65 59.57 1gr7 s ILE 7 Cb -0.15 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1gr7 s ILE 7 CO 0.05 0.44 -0.25 -1.10 0.00 0.00 0.00 174.94 174.08 1gr7 s GLN 8 N -0.93 2.16 -0.15 2.79 -0.21 -1.26 -1.78 119.66 120.28 1gr7 s GLN 8 Ca 0.10 -0.91 0.02 0.00 0.02 0.00 0.00 55.36 54.59 1gr7 s GLN 8 Cb -0.10 -2.03 0.01 0.00 1.00 0.00 0.00 33.01 31.89 1gr7 s GLN 8 CO 0.01 0.52 -0.19 0.20 -2.12 0.00 0.00 175.29 173.70 1gr7 s GLY 9 N -0.52 1.40 0.00 3.09 0.00 -0.53 -1.63 107.32 109.14 1gr7 s GLY 9 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1gr7 s GLY 9 CO -0.00 0.02 0.00 1.16 0.00 0.00 0.00 173.10 174.28 1gr7 n ASN 10 N 4.12 0.45 0.00 1.64 0.23 -0.68 -3.74 115.26 117.28 1gr7 n ASN 10 Ca -0.20 -0.76 0.14 0.00 -0.53 0.00 0.00 54.58 53.23 1gr7 n ASN 10 Cb 0.51 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.84 1gr7 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1gr7 n ASP 11 N -1.95 0.00 -1.36 0.53 10.43 -1.25 -3.22 116.55 119.73 1gr7 n ASP 11 Ca 0.00 0.47 0.07 0.00 2.57 0.00 0.00 54.79 57.90 1gr7 n ASP 11 Cb 0.00 -0.49 0.29 0.00 1.84 0.00 0.00 41.12 42.76 1gr7 n ASP 11 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1gr7 n GLN 12 N -1.49 3.30 -3.55 -1.24 6.02 -1.26 -4.95 117.38 114.22 1gr7 n GLN 12 Ca 0.07 -2.30 -0.20 0.00 -0.01 0.00 0.00 57.00 54.56 1gr7 n GLN 12 Cb 0.33 -1.81 0.07 0.00 1.02 0.00 0.00 30.24 29.85 1gr7 n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1gr7 n MET 13 N 0.80 -6.54 -3.94 -1.09 1.56 -1.20 -5.02 117.12 101.70 1gr7 n MET 13 Ca 0.21 0.79 -0.10 0.00 -0.27 0.00 0.00 57.70 58.33 1gr7 n MET 13 Cb 0.77 -5.73 -0.11 0.00 2.15 0.00 0.00 33.22 30.30 1gr7 n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1gr7 s GLN 14 N -5.75 0.32 0.37 2.12 -0.21 -1.26 -4.31 119.66 110.94 1gr7 s GLN 14 Ca 0.17 -0.48 -0.08 0.00 0.02 0.00 0.00 55.36 54.98 1gr7 s GLN 14 Cb -0.08 0.12 -0.06 0.00 1.00 0.00 0.00 33.01 34.00 1gr7 s GLN 14 CO 0.75 -0.06 0.70 -0.06 -2.12 0.00 0.00 175.29 174.50 1gr7 s PHE 15 N -1.26 3.48 -1.21 0.91 2.99 -1.26 -1.68 117.98 119.94 1gr7 s PHE 15 Ca -0.14 0.90 0.29 0.00 0.00 0.00 0.00 56.93 57.97 1gr7 s PHE 15 Cb -0.08 -2.32 1.34 0.00 0.00 0.00 0.00 43.02 41.95 1gr7 s PHE 15 CO -0.00 -0.02 1.96 0.27 -0.00 0.00 0.00 175.22 177.42 1gr7 n ASN 16 N -1.23 0.00 -3.84 1.36 6.94 -0.65 -4.78 115.26 113.06 1gr7 n ASN 16 Ca 0.01 0.19 -0.12 0.00 -0.02 0.00 0.00 54.58 54.64 1gr7 n ASN 16 Cb 0.54 -0.39 -0.11 0.00 -2.36 0.00 0.00 39.78 37.46 1gr7 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1gr7 s THR 17 N -2.79 0.05 -0.05 5.53 -1.32 -1.26 -5.01 115.64 110.79 1gr7 s THR 17 Ca 0.20 -0.45 0.08 0.00 -1.21 0.00 0.00 61.69 60.31 1gr7 s THR 17 Cb 0.19 -0.39 0.12 0.00 -1.51 0.00 0.00 72.50 70.91 1gr7 s THR 17 CO 0.48 -0.25 1.06 0.59 -2.21 0.00 0.00 174.62 174.29 1gr7 n ASN 18 N 1.94 2.12 -3.66 8.08 4.13 -1.26 -4.82 115.26 121.79 1gr7 n ASN 18 Ca -0.19 -2.44 -0.07 0.00 1.68 0.00 0.00 54.58 53.56 1gr7 n ASN 18 Cb 0.57 -0.18 -0.08 0.00 -1.54 0.00 0.00 39.78 38.55 1gr7 n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gr7 s ALA 19 N -1.76 -1.55 -0.02 5.41 0.00 -1.26 -1.15 121.76 121.43 1gr7 s ALA 19 Ca 0.13 1.99 0.05 0.00 0.00 0.00 0.00 51.96 54.13 1gr7 s ALA 19 Cb 0.11 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1gr7 s ALA 19 CO 0.01 -0.54 -0.16 0.42 0.00 0.00 0.00 175.76 175.49 1gr7 s ILE 20 N 2.04 1.26 -0.14 0.00 1.01 -0.27 -4.97 121.20 120.13 1gr7 s ILE 20 Ca -0.07 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1gr7 s ILE 20 Cb -0.09 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1gr7 s ILE 20 CO -0.16 0.36 -0.22 -0.89 0.00 0.00 0.00 174.94 174.03 1gr7 s THR 21 N -0.24 2.08 -0.17 2.92 2.01 -1.26 -1.85 115.64 119.13 1gr7 s THR 21 Ca 0.03 -0.97 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 1gr7 s THR 21 Cb -0.08 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1gr7 s THR 21 CO 0.00 0.55 0.02 -0.69 -0.69 0.00 0.00 174.62 173.80 1gr7 s VAL 22 N 0.85 4.36 -0.09 3.82 1.01 0.66 -4.96 120.40 126.04 1gr7 s VAL 22 Ca -0.06 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1gr7 s VAL 22 Cb -0.15 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1gr7 s VAL 22 CO -0.03 0.47 1.10 -0.62 0.00 0.00 0.00 175.10 176.03 1gr7 s ASP 23 N 0.40 7.14 0.39 3.32 -1.08 -1.26 -1.10 116.67 124.48 1gr7 s ASP 23 Ca -0.00 1.65 0.28 0.00 -0.52 0.00 0.00 52.55 53.96 1gr7 s ASP 23 Cb -0.13 -2.56 1.34 0.00 -1.46 0.00 0.00 42.92 40.11 1gr7 s ASP 23 CO 0.02 -0.53 1.85 0.07 0.52 0.00 0.00 175.17 177.09 1gr7 h LYS 24 N 7.32 0.00 -3.44 4.34 2.10 -1.04 -3.46 116.57 122.39 1gr7 h LYS 24 Ca -0.31 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.74 1gr7 h LYS 24 Cb 1.15 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.49 1gr7 h LYS 24 CO 0.88 0.00 3.26 -1.13 -2.00 0.00 0.00 179.45 180.45 1gr7 n SER 25 N -2.52 6.27 0.00 7.07 3.41 -1.26 -4.97 113.62 121.62 1gr7 n SER 25 Ca -0.00 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1gr7 n SER 25 Cb 0.15 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.69 1gr7 n SER 25 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1gr7 n LYS 27 N 4.54 0.00 -4.20 4.33 4.81 -1.26 -5.17 118.16 121.20 1gr7 n LYS 27 Ca 0.62 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.93 1gr7 n LYS 27 Cb 0.25 -0.69 -0.10 0.00 0.02 0.00 0.00 35.03 34.51 1gr7 n LYS 27 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1gr7 s GLN 28 N -1.49 0.92 -0.01 1.64 1.11 -1.26 -1.55 119.66 119.03 1gr7 s GLN 28 Ca 0.00 -1.32 0.02 0.00 0.01 0.00 0.00 55.36 54.07 1gr7 s GLN 28 Cb 0.00 -0.48 -0.00 0.00 -1.01 0.00 0.00 33.01 31.52 1gr7 s GLN 28 CO 0.00 0.05 -0.05 0.12 0.01 0.00 0.00 175.29 175.42 1gr7 s PHE 29 N -3.09 0.48 -0.04 0.91 2.19 -0.57 -4.83 117.98 113.02 1gr7 s PHE 29 Ca 0.11 -0.09 0.07 0.00 0.33 0.00 0.00 56.93 57.35 1gr7 s PHE 29 Cb 0.01 -0.31 -0.01 0.00 -1.31 0.00 0.00 43.02 41.40 1gr7 s PHE 29 CO -0.01 -0.01 -0.25 0.99 1.83 0.00 0.00 175.22 177.77 1gr7 s THR 30 N -0.08 2.10 -0.18 0.12 2.01 -0.37 -1.70 115.64 117.54 1gr7 s THR 30 Ca 0.02 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 60.96 1gr7 s THR 30 Cb -0.02 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.75 1gr7 s THR 30 CO -0.00 0.57 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.63 1gr7 s VAL 31 N -0.34 2.22 -0.32 3.82 1.01 0.33 -0.60 120.40 126.52 1gr7 s VAL 31 Ca 0.02 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 1gr7 s VAL 31 Cb -0.12 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1gr7 s VAL 31 CO 0.02 0.53 0.12 0.20 0.00 0.00 0.00 175.10 175.97 1gr7 s ASN 32 N 1.21 5.34 -0.16 3.32 0.01 -0.23 -1.34 114.94 123.08 1gr7 s ASN 32 Ca 0.03 -0.81 -0.06 0.00 -0.71 0.00 0.00 52.86 51.30 1gr7 s ASN 32 Cb -0.14 -1.92 -0.04 0.00 0.41 0.00 0.00 41.25 39.56 1gr7 s ASN 32 CO -0.10 -0.25 0.06 -0.22 -1.51 0.00 0.00 177.10 175.08 1gr7 s LEU 33 N 1.51 3.84 0.19 0.60 2.96 0.89 -1.06 118.68 127.61 1gr7 s LEU 33 Ca 0.02 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 1gr7 s LEU 33 Cb -0.18 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1gr7 s LEU 33 CO 0.04 0.24 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.32 1gr7 s SER 34 N -0.01 1.72 -0.42 3.68 1.04 -0.73 -1.22 113.70 117.76 1gr7 s SER 34 Ca 0.06 -1.13 0.02 0.00 0.48 0.00 0.00 55.95 55.38 1gr7 s SER 34 Cb -0.12 0.02 0.14 0.00 0.10 0.00 0.00 66.02 66.15 1gr7 s SER 34 CO 0.01 -0.45 0.23 -2.28 0.98 0.00 0.00 173.24 171.73 1gr7 s HIS 35 N -3.42 1.67 0.84 5.02 2.46 -1.16 -1.45 115.29 119.25 1gr7 s HIS 35 Ca 0.23 -2.23 -0.11 0.00 0.47 0.00 0.00 55.06 53.42 1gr7 s HIS 35 Cb 0.04 -1.65 0.10 0.00 -0.13 0.00 0.00 32.58 30.95 1gr7 s HIS 35 CO 0.05 -0.79 1.13 -1.25 -2.47 0.00 0.00 174.74 171.40 1gr7 s PRO 36 N 0.52 1.62 0.00 2.88 0.04 -1.25 -1.06 135.00 137.76 1gr7 s PRO 36 Ca 0.18 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1gr7 s PRO 36 Cb -0.24 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1gr7 s PRO 36 CO 0.00 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.29 1gr7 n GLY 37 N -0.40 -0.04 0.00 0.56 0.00 -1.26 -3.97 105.19 100.08 1gr7 n GLY 37 Ca 0.11 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1gr7 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gr7 n ASN 38 N 0.00 0.92 -4.77 1.61 4.13 -1.26 -4.51 115.26 111.38 1gr7 n ASN 38 Ca 0.00 -0.15 -0.38 0.00 1.68 0.00 0.00 54.58 55.73 1gr7 n ASN 38 Cb 0.00 0.48 -0.05 0.00 -1.54 0.00 0.00 39.78 38.67 1gr7 n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1gr7 s LEU 39 N -1.14 4.41 0.68 3.41 1.43 -1.26 -4.86 118.68 121.35 1gr7 s LEU 39 Ca 0.00 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 1gr7 s LEU 39 Cb 0.00 -3.86 -0.00 0.00 0.03 0.00 0.00 46.19 42.35 1gr7 s LEU 39 CO 0.00 -0.16 1.05 -2.16 0.23 0.00 0.00 176.35 175.31 1gr7 s PRO 40 N -1.82 3.10 0.39 1.29 0.04 -1.26 -2.00 135.00 134.75 1gr7 s PRO 40 Ca 0.49 0.82 0.14 0.00 0.04 0.00 0.00 61.00 62.49 1gr7 s PRO 40 Cb -0.25 -2.02 0.98 0.00 0.04 0.00 0.00 34.50 33.25 1gr7 s PRO 40 CO 0.32 -0.95 1.86 -0.22 0.04 0.00 0.00 177.00 178.05 1gr7 h LYS 41 N -0.60 0.50 0.00 4.56 3.64 -1.85 -0.13 116.57 122.68 1gr7 h LYS 41 Ca -0.44 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1gr7 h LYS 41 Cb 1.21 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1gr7 h LYS 41 CO 0.59 0.33 0.00 -2.95 -2.27 0.00 0.00 179.45 175.15 1gr7 h ASN 42 N 0.51 0.00 0.00 4.20 7.08 -1.94 -1.90 115.58 123.53 1gr7 h ASN 42 Ca 0.46 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.56 1gr7 h ASN 42 Cb 0.99 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.21 1gr7 h ASN 42 CO -0.20 0.00 -1.47 0.52 -2.08 0.00 0.00 177.43 174.20 1gr7 n VAL 43 N -2.64 0.47 -2.71 6.14 0.31 -0.61 -4.82 118.33 114.46 1gr7 n VAL 43 Ca 0.02 -0.26 -0.06 0.00 -0.01 0.00 0.00 64.34 64.03 1gr7 n VAL 43 Cb 0.28 -0.82 0.06 0.00 -0.91 0.00 0.00 33.84 32.45 1gr7 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1gr7 n MET 44 N -2.38 1.31 -2.39 5.55 1.56 -0.16 -5.03 117.12 115.59 1gr7 n MET 44 Ca -0.12 -2.94 -0.39 0.00 -0.27 0.00 0.00 57.70 53.98 1gr7 n MET 44 Cb 0.71 -1.02 -0.03 0.00 2.15 0.00 0.00 33.22 35.03 1gr7 n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1gr7 s GLY 45 N -2.84 2.93 -0.01 -5.12 0.00 -0.71 -4.75 107.32 96.82 1gr7 s GLY 45 Ca 0.25 0.92 0.02 0.00 0.00 0.00 0.00 44.72 45.91 1gr7 s GLY 45 CO -0.01 1.47 -0.07 0.30 0.00 0.00 0.00 173.10 174.79 1gr7 s HIS 46 N -1.34 0.66 0.40 1.90 3.76 -0.48 -4.62 115.29 115.57 1gr7 s HIS 46 Ca 0.52 -0.13 0.05 0.00 -0.15 0.00 0.00 55.06 55.34 1gr7 s HIS 46 Cb -0.31 -0.44 -0.06 0.00 1.11 0.00 0.00 32.58 32.89 1gr7 s HIS 46 CO 0.39 -0.03 0.04 0.54 -0.85 0.00 0.00 174.74 174.83 1gr7 s ASN 47 N -0.05 3.34 -0.20 1.40 2.20 -1.26 -0.86 114.94 119.51 1gr7 s ASN 47 Ca 0.01 -1.46 0.01 0.00 -0.94 0.00 0.00 52.86 50.48 1gr7 s ASN 47 Cb -0.04 -0.03 0.03 0.00 -2.00 0.00 0.00 41.25 39.22 1gr7 s ASN 47 CO -0.00 -0.63 -0.16 0.86 -2.94 0.00 0.00 177.10 174.23 1gr7 s TRP 48 N -2.98 2.75 -0.04 1.54 -0.00 -1.26 -3.94 118.94 115.01 1gr7 s TRP 48 Ca 0.29 -1.74 0.04 0.00 -0.00 0.00 0.00 56.10 54.69 1gr7 s TRP 48 Cb 0.07 -1.83 -0.00 0.00 -0.00 0.00 0.00 33.47 31.71 1gr7 s TRP 48 CO 0.14 -0.80 -0.16 0.08 -0.00 0.00 0.00 176.95 176.21 1gr7 s VAL 49 N 1.29 1.35 -0.12 5.86 1.01 -0.02 -1.55 120.40 128.22 1gr7 s VAL 49 Ca 0.01 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1gr7 s VAL 49 Cb -0.15 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 1gr7 s VAL 49 CO -0.10 0.39 -0.20 -0.22 0.00 0.00 0.00 175.10 174.97 1gr7 s LEU 50 N 0.04 2.30 0.26 3.92 2.96 -0.59 -1.15 118.68 126.42 1gr7 s LEU 50 Ca -0.03 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 1gr7 s LEU 50 Cb -0.11 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 1gr7 s LEU 50 CO 0.02 0.13 0.31 -0.94 -1.32 0.00 0.00 176.35 174.56 1gr7 s SER 51 N 0.52 0.47 0.80 3.68 1.04 -0.88 -0.89 113.70 118.43 1gr7 s SER 51 Ca -0.13 -1.35 -0.12 0.00 0.48 0.00 0.00 55.95 54.83 1gr7 s SER 51 Cb -0.17 0.52 0.08 0.00 0.10 0.00 0.00 66.02 66.55 1gr7 s SER 51 CO 0.05 -1.05 1.15 0.42 0.98 0.00 0.00 173.24 174.79 1gr7 s THR 52 N -3.78 2.52 0.27 2.02 -4.23 -1.26 -1.19 115.64 109.99 1gr7 s THR 52 Ca 0.33 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 61.03 1gr7 s THR 52 Cb 0.03 -2.56 0.26 0.00 1.34 0.00 0.00 72.50 71.57 1gr7 s THR 52 CO 0.15 -0.19 1.85 0.00 -0.54 0.00 0.00 174.62 175.90 1gr7 h ALA 53 N -0.98 1.39 0.00 3.99 0.00 -1.35 -1.84 119.26 120.47 1gr7 h ALA 53 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1gr7 h ALA 53 Cb 1.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1gr7 h ALA 53 CO 0.48 0.29 -0.27 0.00 0.00 0.00 0.00 179.25 179.75 1gr7 h ALA 54 N 1.48 1.32 0.00 0.00 0.00 -1.92 -3.09 119.26 117.05 1gr7 h ALA 54 Ca 0.45 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1gr7 h ALA 54 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1gr7 h ALA 54 CO -0.22 0.34 -0.68 -0.25 0.00 0.00 0.00 179.25 178.43 1gr7 n ASP 55 N -3.87 0.60 -0.10 0.00 8.00 -0.75 -4.50 116.55 115.94 1gr7 n ASP 55 Ca -0.02 -0.19 -0.06 0.00 0.71 0.00 0.00 54.79 55.23 1gr7 n ASP 55 Cb 0.35 0.40 0.01 0.00 -0.02 0.00 0.00 41.12 41.86 1gr7 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1gr7 h MET 56 N 0.00 -0.06 -0.79 -1.24 4.05 -1.33 -2.18 114.93 113.39 1gr7 h MET 56 Ca 0.00 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1gr7 h MET 56 Cb 0.61 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.39 1gr7 h MET 56 CO 0.00 -0.04 0.52 0.37 0.23 0.00 0.00 176.91 177.99 1gr7 h GLN 57 N -0.06 1.05 -0.46 0.39 5.75 -1.81 0.06 115.11 120.03 1gr7 h GLN 57 Ca 0.18 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1gr7 h GLN 57 Cb 0.33 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1gr7 h GLN 57 CO -0.41 0.69 0.17 0.78 -2.65 0.00 0.00 178.83 177.41 1gr7 h GLY 58 N 1.08 0.76 0.99 2.39 0.00 -1.76 -0.79 103.07 105.73 1gr7 h GLY 58 Ca 0.29 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1gr7 h GLY 58 CO -0.06 0.41 0.12 -2.08 0.00 0.00 0.00 176.54 174.92 1gr7 h VAL 59 N 0.61 1.06 -0.14 4.60 2.07 -0.95 -0.01 116.25 123.49 1gr7 h VAL 59 Ca 0.15 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1gr7 h VAL 59 Cb 0.23 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1gr7 h VAL 59 CO -0.01 0.06 0.09 0.58 0.02 0.00 0.00 177.57 178.31 1gr7 h VAL 60 N 0.24 1.03 -0.47 2.57 2.07 -0.92 0.79 116.25 121.56 1gr7 h VAL 60 Ca 0.07 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 1gr7 h VAL 60 Cb -0.00 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1gr7 h VAL 60 CO -0.01 0.03 -0.00 0.71 0.02 0.00 0.00 177.57 178.32 1gr7 h THR 61 N 0.18 1.26 0.00 2.57 1.35 -1.02 -1.06 112.91 116.20 1gr7 h THR 61 Ca 0.05 -1.06 -0.08 0.00 -0.55 0.00 0.00 66.41 64.77 1gr7 h THR 61 Cb -0.01 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 1gr7 h THR 61 CO -0.02 0.37 -0.39 0.44 -0.25 0.00 0.00 175.52 175.67 1gr7 h ASP 62 N 0.68 0.00 -0.32 5.36 3.45 -0.93 -2.99 116.42 121.66 1gr7 h ASP 62 Ca 0.13 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.42 1gr7 h ASP 62 Cb 0.51 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 1gr7 h ASP 62 CO 0.02 0.39 -0.45 1.23 -1.57 0.00 0.00 179.24 178.87 1gr7 h GLY 63 N 1.37 0.98 1.37 2.75 0.00 -0.45 -2.93 103.07 106.16 1gr7 h GLY 63 Ca -0.00 -1.05 0.01 0.00 0.00 0.00 0.00 47.33 46.29 1gr7 h GLY 63 CO 0.05 0.94 0.42 1.98 0.00 0.00 0.00 176.54 179.94 1gr7 h MET 64 N 0.71 0.82 0.00 4.80 1.85 -1.06 -1.16 114.93 120.90 1gr7 h MET 64 Ca 0.04 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1gr7 h MET 64 Cb 1.04 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.89 1gr7 h MET 64 CO 0.10 0.55 -0.02 0.00 -0.40 0.00 0.00 176.91 177.14 1gr7 n ALA 65 N -2.44 2.35 0.33 0.39 0.00 -1.16 -3.95 120.51 116.03 1gr7 n ALA 65 Ca 0.07 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1gr7 n ALA 65 Cb 0.05 -1.46 0.18 0.00 0.00 0.00 0.00 19.45 18.22 1gr7 n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1gr7 h SER 66 N 0.00 0.00 -4.44 0.00 0.02 -1.03 -3.50 113.55 104.60 1gr7 h SER 66 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1gr7 h SER 66 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1gr7 h SER 66 CO 0.00 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 1gr7 n GLY 67 N 1.20 -0.49 0.37 -3.77 0.00 -1.25 -4.21 105.19 97.03 1gr7 n GLY 67 Ca 0.03 -1.62 0.02 0.00 0.00 0.00 0.00 46.02 44.45 1gr7 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1gr7 h LEU 68 N 0.00 1.00 -2.54 0.99 5.85 -1.92 -0.93 115.31 117.75 1gr7 h LEU 68 Ca 0.00 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1gr7 h LEU 68 Cb 0.00 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 1gr7 h LEU 68 CO 0.00 0.66 -0.02 -2.24 -0.34 0.00 0.00 178.44 176.51 1gr7 h ASP 69 N 1.14 0.00 -0.28 1.25 -0.00 -2.02 -0.81 116.42 115.70 1gr7 h ASP 69 Ca 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 57.39 1gr7 h ASP 69 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.40 1gr7 h ASP 69 CO -0.13 0.02 0.00 0.29 -0.00 0.00 0.00 179.24 179.42 1gr7 n LYS 70 N -3.33 2.84 -2.16 4.15 5.02 -0.68 -4.96 118.16 119.04 1gr7 n LYS 70 Ca -0.02 -2.89 -0.18 0.00 -2.02 0.00 0.00 58.31 53.20 1gr7 n LYS 70 Cb 0.13 -1.86 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 1gr7 n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1gr7 n ASP 71 N -0.57 -5.31 -3.86 4.39 9.92 -0.31 -2.62 116.55 118.20 1gr7 n ASP 71 Ca 0.23 0.09 -0.28 0.00 -0.53 0.00 0.00 54.79 54.31 1gr7 n ASP 71 Cb 0.92 -4.39 0.03 0.00 -0.64 0.00 0.00 41.12 37.05 1gr7 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1gr7 n TYR 72 N -3.65 -2.24 -3.78 1.24 4.01 -0.44 -4.73 117.16 107.57 1gr7 n TYR 72 Ca -0.21 0.90 -0.14 0.00 -0.16 0.00 0.00 57.90 58.28 1gr7 n TYR 72 Cb 0.65 -4.11 -0.15 0.00 -0.31 0.00 0.00 39.34 35.42 1gr7 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1gr7 s LEU 73 N -7.15 1.08 0.04 7.72 1.43 -1.08 -4.23 118.68 116.49 1gr7 s LEU 73 Ca 0.51 0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 53.43 1gr7 s LEU 73 Cb -0.25 0.09 -0.07 0.00 0.03 0.00 0.00 46.19 45.99 1gr7 s LEU 73 CO 0.82 -0.12 1.43 -0.75 0.23 0.00 0.00 176.35 177.97 1gr7 s LYS 74 N 0.95 4.28 0.29 1.70 2.20 -1.26 -4.89 119.74 123.01 1gr7 s LYS 74 Ca -0.08 2.05 -0.30 0.00 -0.36 0.00 0.00 55.97 57.28 1gr7 s LYS 74 Cb -0.11 -3.48 -0.11 0.00 -1.51 0.00 0.00 37.83 32.61 1gr7 s LYS 74 CO -0.03 -0.56 1.61 -2.14 -0.36 0.00 0.00 175.35 173.87 1gr7 s PRO 75 N 2.06 4.11 -1.46 4.03 0.02 -1.26 -2.67 135.00 139.83 1gr7 s PRO 75 Ca 0.66 2.60 -0.06 0.00 0.02 0.00 0.00 61.00 64.21 1gr7 s PRO 75 Cb -0.34 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 31.16 1gr7 s PRO 75 CO 0.28 -0.66 0.79 -0.25 -0.33 0.00 0.00 177.00 176.84 1gr7 n ASP 76 N 2.33 -6.16 -4.62 2.53 8.00 -1.26 -4.91 116.55 112.46 1gr7 n ASP 76 Ca 0.09 -0.37 -0.43 0.00 0.71 0.00 0.00 54.79 54.79 1gr7 n ASP 76 Cb 0.37 -4.91 -0.02 0.00 -0.02 0.00 0.00 41.12 36.54 1gr7 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1gr7 s ASP 77 N -2.92 6.30 0.48 -2.24 -1.08 -1.09 -4.86 116.67 111.27 1gr7 s ASP 77 Ca 0.39 1.33 0.33 0.00 -0.52 0.00 0.00 52.55 54.08 1gr7 s ASP 77 Cb -0.17 -2.53 1.71 0.00 -1.46 0.00 0.00 42.92 40.46 1gr7 s ASP 77 CO 0.49 -1.37 2.00 0.28 0.52 0.00 0.00 175.17 177.09 1gr7 h SER 78 N 11.00 0.00 1.41 -0.34 0.02 -1.92 -2.28 113.55 121.44 1gr7 h SER 78 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1gr7 h SER 78 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1gr7 h SER 78 CO 1.03 0.00 -0.18 0.03 -1.14 0.00 0.00 176.83 176.57 1gr7 h ARG 79 N 0.00 0.00 -5.73 3.45 3.08 -1.97 -3.44 114.38 109.77 1gr7 h ARG 79 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1gr7 h ARG 79 Cb 0.09 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.03 1gr7 h ARG 79 CO 0.00 0.00 0.35 0.08 -1.07 0.00 0.00 179.97 179.33 1gr7 s VAL 80 N -3.14 4.80 0.08 2.04 1.01 -0.86 -4.46 120.40 119.86 1gr7 s VAL 80 Ca 0.09 1.04 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 1gr7 s VAL 80 Cb 0.11 -4.14 -0.28 0.00 0.00 0.00 0.00 36.38 32.07 1gr7 s VAL 80 CO 0.64 -0.29 1.14 0.40 0.00 0.00 0.00 175.10 177.00 1gr7 h ILE 81 N 5.64 1.50 -1.89 2.22 2.04 -1.31 -3.48 117.51 122.23 1gr7 h ILE 81 Ca -0.25 -3.07 0.07 0.00 1.00 0.00 0.00 64.86 62.62 1gr7 h ILE 81 Cb 1.10 2.94 -0.20 0.00 -0.74 0.00 0.00 36.82 39.93 1gr7 h ILE 81 CO 0.88 0.90 0.48 0.00 0.00 0.00 0.00 178.15 180.40 1gr7 s ALA 82 N -2.66 -1.87 0.09 1.87 0.00 -1.24 -5.01 121.76 112.94 1gr7 s ALA 82 Ca -0.04 1.34 -0.25 0.00 0.00 0.00 0.00 51.96 53.01 1gr7 s ALA 82 Cb 0.07 -0.21 0.07 0.00 0.00 0.00 0.00 23.12 23.06 1gr7 s ALA 82 CO 0.88 -0.45 0.64 -3.38 0.00 0.00 0.00 175.76 173.45 1gr7 s HIS 83 N -1.85 -0.56 0.51 0.00 -3.43 -1.26 -1.54 115.29 107.16 1gr7 s HIS 83 Ca -0.01 0.55 0.02 0.00 -0.80 0.00 0.00 55.06 54.82 1gr7 s HIS 83 Cb -0.01 0.52 0.10 0.00 -1.43 0.00 0.00 32.58 31.76 1gr7 s HIS 83 CO -0.01 -0.77 0.70 0.25 -2.00 0.00 0.00 174.74 172.91 1gr7 n THR 84 N -0.01 0.00 -2.32 -5.38 -2.24 -0.59 -4.83 114.28 98.91 1gr7 n THR 84 Ca -0.17 -1.28 -0.25 0.00 -2.27 0.00 0.00 64.05 60.08 1gr7 n THR 84 Cb 0.63 -0.88 0.10 0.00 -2.10 0.00 0.00 70.33 68.08 1gr7 n THR 84 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1gr7 s LYS 85 N -4.26 1.72 -0.11 -0.78 -2.85 -1.26 -4.67 119.74 107.53 1gr7 s LYS 85 Ca 0.48 -0.63 -0.23 0.00 -1.00 0.00 0.00 55.97 54.59 1gr7 s LYS 85 Cb -0.03 -2.19 -0.03 0.00 -2.06 0.00 0.00 37.83 33.52 1gr7 s LYS 85 CO 0.32 -1.51 0.69 -1.17 0.10 0.00 0.00 175.35 173.77 1gr7 s LEU 86 N -5.30 4.26 0.19 2.77 2.96 -1.26 -4.35 118.68 117.95 1gr7 s LEU 86 Ca 0.65 1.09 0.09 0.00 -0.22 0.00 0.00 54.13 55.74 1gr7 s LEU 86 Cb -0.07 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 1gr7 s LEU 86 CO 0.46 -0.18 -0.18 0.27 -1.32 0.00 0.00 176.35 175.39 1gr7 s ILE 87 N 1.21 1.95 0.53 6.68 -4.36 -0.04 -4.90 121.20 122.27 1gr7 s ILE 87 Ca 0.35 -2.05 0.08 0.00 -0.26 0.00 0.00 60.65 58.77 1gr7 s ILE 87 Cb -0.17 -1.97 0.08 0.00 1.25 0.00 0.00 42.46 41.65 1gr7 s ILE 87 CO 0.15 -0.36 0.70 0.61 0.24 0.00 0.00 174.94 176.28 1gr7 n GLY 88 N 0.04 2.07 3.77 6.27 0.00 -1.26 -1.38 105.19 114.68 1gr7 n GLY 88 Ca -0.11 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.27 1gr7 n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gr7 s SER 89 N -4.29 6.38 0.00 1.61 1.04 -0.85 -2.05 113.70 115.55 1gr7 s SER 89 Ca 0.53 2.99 0.00 0.00 0.48 0.00 0.00 55.95 59.94 1gr7 s SER 89 Cb -0.04 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1gr7 s SER 89 CO 0.34 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1gr7 n GLY 90 N 1.17 1.62 3.96 7.32 0.00 -0.22 -4.97 105.19 114.07 1gr7 n GLY 90 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1gr7 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gr7 s GLU 91 N -0.18 2.84 0.04 1.61 2.02 -0.87 -4.95 118.70 119.21 1gr7 s GLU 91 Ca 0.00 -1.24 -0.14 0.00 0.02 0.00 0.00 54.97 53.61 1gr7 s GLU 91 Cb 0.00 -2.67 0.02 0.00 0.10 0.00 0.00 34.13 31.58 1gr7 s GLU 91 CO 0.00 -0.11 0.31 -1.59 0.02 0.00 0.00 175.26 173.89 1gr7 s LYS 92 N -4.21 0.80 0.16 1.61 -2.85 -1.26 -3.01 119.74 110.98 1gr7 s LYS 92 Ca 0.49 -0.47 -0.17 0.00 -1.00 0.00 0.00 55.97 54.82 1gr7 s LYS 92 Cb -0.08 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 36.07 1gr7 s LYS 92 CO 0.31 -0.25 0.46 0.34 0.10 0.00 0.00 175.35 176.30 1gr7 s ASP 93 N -1.99 -0.26 -0.01 0.03 2.15 -0.36 -5.01 116.67 111.22 1gr7 s ASP 93 Ca -0.06 -0.39 -0.02 0.00 0.43 0.00 0.00 52.55 52.51 1gr7 s ASP 93 Cb -0.01 0.52 -0.00 0.00 -0.30 0.00 0.00 42.92 43.13 1gr7 s ASP 93 CO -0.03 -0.95 0.04 -0.55 -0.17 0.00 0.00 175.17 173.52 1gr7 s SER 94 N -2.84 0.03 0.02 -0.34 0.15 -1.26 -0.08 113.70 109.38 1gr7 s SER 94 Ca 0.06 -0.08 0.03 0.00 0.70 0.00 0.00 55.95 56.66 1gr7 s SER 94 Cb 0.01 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1gr7 s SER 94 CO -0.08 -0.14 -0.11 0.54 1.20 0.00 0.00 173.24 174.66 1gr7 s VAL 95 N -0.53 0.84 -0.05 4.45 0.11 -0.45 -4.91 120.40 119.86 1gr7 s VAL 95 Ca -0.06 -0.75 0.04 0.00 -2.93 0.00 0.00 61.98 58.28 1gr7 s VAL 95 Cb -0.04 -0.76 -0.00 0.00 -1.53 0.00 0.00 36.38 34.05 1gr7 s VAL 95 CO -0.00 0.02 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.72 1gr7 s THR 96 N -0.67 1.47 0.10 5.04 2.01 -1.26 -0.51 115.64 121.82 1gr7 s THR 96 Ca 0.00 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1gr7 s THR 96 Cb -0.06 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1gr7 s THR 96 CO 0.00 0.42 -0.07 0.72 -0.69 0.00 0.00 174.62 175.01 1gr7 s PHE 97 N 0.04 0.89 -0.08 4.92 -0.12 -0.69 -4.96 117.98 117.98 1gr7 s PHE 97 Ca -0.04 -0.90 -0.30 0.00 -0.05 0.00 0.00 56.93 55.64 1gr7 s PHE 97 Cb -0.12 -0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 41.74 1gr7 s PHE 97 CO 0.02 -0.14 1.09 -0.51 -0.05 0.00 0.00 175.22 175.63 1gr7 s ASP 98 N -2.99 7.17 0.25 1.98 1.01 -1.26 -1.51 116.67 121.32 1gr7 s ASP 98 Ca 0.11 1.66 -0.05 0.00 0.71 0.00 0.00 52.55 54.98 1gr7 s ASP 98 Cb 0.05 -2.56 0.32 0.00 1.01 0.00 0.00 42.92 41.74 1gr7 s ASP 98 CO -0.04 -0.50 1.90 0.58 0.21 0.00 0.00 175.17 177.32 1gr7 h VAL 99 N 5.05 1.17 0.00 -1.27 2.07 -1.60 -2.46 116.25 119.20 1gr7 h VAL 99 Ca -0.33 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1gr7 h VAL 99 Cb 1.15 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1gr7 h VAL 99 CO 0.86 0.23 0.00 -2.65 0.02 0.00 0.00 177.57 176.03 1gr7 n PRO 100 N -4.46 0.00 0.20 1.57 -0.02 -1.26 -0.88 135.00 130.15 1gr7 n PRO 100 Ca 0.13 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 1gr7 n PRO 100 Cb 0.10 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 32.60 1gr7 n PRO 100 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1gr7 h LYS 101 N 0.00 0.00 -5.96 -0.52 1.57 -1.84 -3.44 116.57 106.38 1gr7 h LYS 101 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1gr7 h LYS 101 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1gr7 h LYS 101 CO 0.00 0.00 -0.44 -0.51 -0.57 0.00 0.00 179.45 177.93 1gr7 s LEU 102 N -5.39 4.34 -0.13 2.94 1.43 -0.06 -5.10 118.68 116.71 1gr7 s LEU 102 Ca 0.04 0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 53.49 1gr7 s LEU 102 Cb 0.09 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 1gr7 s LEU 102 CO 0.51 0.16 0.01 -0.54 0.23 0.00 0.00 176.35 176.72 1gr7 s LYS 103 N -2.39 3.48 0.33 1.70 1.02 -1.26 -5.06 119.74 117.56 1gr7 s LYS 103 Ca 0.35 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.63 1gr7 s LYS 103 Cb -0.13 -2.96 -0.11 0.00 -0.52 0.00 0.00 37.83 34.12 1gr7 s LYS 103 CO 0.25 0.45 1.50 -2.00 -0.92 0.00 0.00 175.35 174.62 1gr7 s GLU 104 N -0.17 4.16 0.00 1.68 2.12 -1.26 -2.79 118.70 122.43 1gr7 s GLU 104 Ca 0.05 2.51 0.00 0.00 0.36 0.00 0.00 54.97 57.89 1gr7 s GLU 104 Cb -0.12 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1gr7 s GLU 104 CO 0.02 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 1gr7 n GLY 105 N 1.25 1.56 3.89 -1.50 0.00 -1.26 -5.05 105.19 104.08 1gr7 n GLY 105 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1gr7 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gr7 s GLU 106 N -0.38 3.59 -0.27 1.61 2.56 -1.12 -5.08 118.70 119.61 1gr7 s GLU 106 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 54.97 54.71 1gr7 s GLU 106 Cb 0.00 -3.02 -0.02 0.00 2.00 0.00 0.00 34.13 33.08 1gr7 s GLU 106 CO 0.00 0.60 0.52 -1.14 -0.56 0.00 0.00 175.26 174.68 1gr7 s GLN 107 N -2.01 4.02 0.16 4.30 0.74 -1.26 -4.73 119.66 120.89 1gr7 s GLN 107 Ca 0.31 0.28 0.08 0.00 0.05 0.00 0.00 55.36 56.09 1gr7 s GLN 107 Cb -0.13 -3.67 -0.04 0.00 1.10 0.00 0.00 33.01 30.27 1gr7 s GLN 107 CO 0.19 -0.39 -0.07 0.71 -0.55 0.00 0.00 175.29 175.18 1gr7 s TYR 108 N 2.34 2.70 0.03 1.67 2.02 -1.07 -1.02 117.35 124.01 1gr7 s TYR 108 Ca 0.21 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.77 1gr7 s TYR 108 Cb -0.16 -1.33 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 1gr7 s TYR 108 CO 0.10 0.50 -0.14 -1.64 -1.57 0.00 0.00 175.55 172.80 1gr7 s MET 109 N -2.74 0.96 0.10 -0.62 -1.94 -0.34 -1.34 119.30 113.40 1gr7 s MET 109 Ca 0.25 -0.68 0.07 0.00 -1.71 0.00 0.00 55.69 53.61 1gr7 s MET 109 Cb -0.09 -0.96 -0.04 0.00 2.01 0.00 0.00 34.83 35.75 1gr7 s MET 109 CO 0.16 0.24 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.74 1gr7 s PHE 110 N -0.71 2.79 0.15 -0.03 -0.71 -0.21 -2.07 117.98 117.20 1gr7 s PHE 110 Ca 0.02 -0.13 -0.24 0.00 -1.04 0.00 0.00 56.93 55.54 1gr7 s PHE 110 Cb -0.07 -1.45 0.06 0.00 -1.21 0.00 0.00 43.02 40.35 1gr7 s PHE 110 CO 0.01 0.44 0.79 -0.59 -1.34 0.00 0.00 175.22 174.52 1gr7 s PHE 111 N -1.24 -0.30 -0.11 3.49 -0.71 -0.30 -1.18 117.98 117.64 1gr7 s PHE 111 Ca 0.22 0.01 -0.11 0.00 -1.04 0.00 0.00 56.93 56.01 1gr7 s PHE 111 Cb -0.11 0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 42.27 1gr7 s PHE 111 CO 0.15 -0.88 0.26 0.00 -1.34 0.00 0.00 175.22 173.40 1gr7 n THR 113 N 2.61 0.00 -1.74 0.00 -2.24 -1.26 -3.23 114.28 108.42 1gr7 n THR 113 Ca -0.15 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 1gr7 n THR 113 Cb 0.53 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.80 1gr7 n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1gr7 n PHE 114 N 0.73 2.73 -1.72 4.78 7.35 -1.26 -4.47 117.46 125.60 1gr7 n PHE 114 Ca 0.16 0.37 -0.61 0.00 -0.76 0.00 0.00 57.45 56.60 1gr7 n PHE 114 Cb 0.49 -2.54 -0.08 0.00 0.35 0.00 0.00 39.48 37.70 1gr7 n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1gr7 n PRO 115 N 1.48 0.73 0.00 -7.13 -0.02 -1.26 -1.10 135.00 127.69 1gr7 n PRO 115 Ca 0.06 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1gr7 n PRO 115 Cb 0.36 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1gr7 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gr7 n GLY 116 N 4.05 3.12 0.23 -1.23 0.00 -1.26 -4.90 105.19 105.20 1gr7 n GLY 116 Ca 0.28 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.31 1gr7 n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1gr7 h HIS 117 N 0.00 0.28 0.00 1.61 3.86 -1.37 -2.68 115.15 116.84 1gr7 h HIS 117 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1gr7 h HIS 117 Cb 0.00 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1gr7 h HIS 117 CO 0.00 0.45 0.00 -1.13 0.86 0.00 0.00 177.93 178.11 1gr7 n SER 118 N -4.21 0.55 -0.35 2.45 3.41 -1.20 -0.50 113.62 113.78 1gr7 n SER 118 Ca -0.01 0.73 0.04 0.00 -0.26 0.00 0.00 58.87 59.38 1gr7 n SER 118 Cb 0.32 -0.81 0.20 0.00 -0.26 0.00 0.00 64.21 63.66 1gr7 n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gr7 h ALA 119 N 2.05 1.39 0.00 7.33 0.00 -1.83 -3.31 119.26 124.89 1gr7 h ALA 119 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1gr7 h ALA 119 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1gr7 h ALA 119 CO 0.00 0.29 -1.19 1.28 0.00 0.00 0.00 179.25 179.63 1gr7 n LEU 120 N -4.60 0.00 -4.42 0.00 4.77 -0.88 -4.90 117.00 106.97 1gr7 n LEU 120 Ca 0.16 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.70 1gr7 n LEU 120 Cb 0.27 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1gr7 n LEU 120 CO 0.29 0.05 1.22 0.23 -1.33 0.00 0.00 177.39 177.85 1gr7 n MET 121 N -1.96 3.43 -3.63 3.23 2.81 0.35 -4.68 117.12 116.67 1gr7 n MET 121 Ca -0.04 -4.04 -0.13 0.00 -1.81 0.00 0.00 57.70 51.69 1gr7 n MET 121 Cb 0.44 -2.89 -0.06 0.00 -0.71 0.00 0.00 33.22 30.01 1gr7 n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1gr7 s LYS 122 N 0.65 0.98 0.24 0.03 -2.85 -1.26 -2.15 119.74 115.37 1gr7 s LYS 122 Ca 0.39 -0.39 -0.22 0.00 -1.00 0.00 0.00 55.97 54.75 1gr7 s LYS 122 Cb -0.05 0.44 0.05 0.00 -2.06 0.00 0.00 37.83 36.20 1gr7 s LYS 122 CO -0.02 -0.35 0.85 0.20 0.10 0.00 0.00 175.35 176.12 1gr7 s GLY 123 N -2.14 -0.07 0.06 0.59 0.00 -0.32 -4.73 107.32 100.70 1gr7 s GLY 123 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1gr7 s GLY 123 CO -0.04 0.11 0.18 -0.51 0.00 0.00 0.00 173.10 172.84 1gr7 s THR 124 N -3.34 5.24 -0.04 0.90 -4.23 -0.30 -1.04 115.64 112.82 1gr7 s THR 124 Ca 0.13 -0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 1gr7 s THR 124 Cb -0.04 -3.54 0.01 0.00 1.34 0.00 0.00 72.50 70.27 1gr7 s THR 124 CO 0.06 0.16 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.99 1gr7 s LEU 125 N -2.43 1.62 0.03 4.79 0.20 -0.45 -1.12 118.68 121.33 1gr7 s LEU 125 Ca 0.33 -0.20 0.03 0.00 0.69 0.00 0.00 54.13 54.98 1gr7 s LEU 125 Cb -0.13 -0.61 -0.02 0.00 -0.43 0.00 0.00 46.19 45.01 1gr7 s LEU 125 CO 0.26 0.02 -0.09 0.28 -0.29 0.00 0.00 176.35 176.53 1gr7 s THR 126 N 0.52 0.68 -0.23 3.68 -1.32 -0.77 -2.60 115.64 115.60 1gr7 s THR 126 Ca -0.09 -0.91 -0.10 0.00 -1.21 0.00 0.00 61.69 59.39 1gr7 s THR 126 Cb -0.12 -0.68 -0.05 0.00 -1.51 0.00 0.00 72.50 70.14 1gr7 s THR 126 CO 0.01 -0.19 0.14 -0.22 -2.21 0.00 0.00 174.62 172.16 1gr7 s LEU 127 N -1.20 4.06 0.00 9.08 2.96 -1.26 -0.25 118.68 132.07 1gr7 s LEU 127 Ca -0.04 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 1gr7 s LEU 127 Cb -0.08 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1gr7 s LEU 127 CO 0.01 0.08 0.31 0.29 -1.32 0.00 0.00 176.35 175.72