#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpp s ALA -1 N 0.00 3.57 -0.08 7.33 0.00 -0.54 -4.72 121.76 127.32 1gpp s ALA -1 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1gpp s ALA -1 Cb 0.00 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1gpp s ALA -1 CO 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 175.76 175.22 1gpp s PHE 2 N 1.20 1.38 0.69 0.00 0.08 -0.11 -2.28 117.98 118.93 1gpp s PHE 2 Ca -0.05 -1.02 -0.15 0.00 0.12 0.00 0.00 56.93 55.83 1gpp s PHE 2 Cb -0.14 -0.79 0.02 0.00 -0.57 0.00 0.00 43.02 41.53 1gpp s PHE 2 CO -0.02 -0.18 1.17 0.00 -0.10 0.00 0.00 175.22 176.08 1gpp s ALA 3 N -3.60 2.30 0.37 5.36 0.00 -0.69 -0.92 121.76 124.58 1gpp s ALA 3 Ca 0.28 0.76 -0.27 0.00 0.00 0.00 0.00 51.96 52.73 1gpp s ALA 3 Cb 0.06 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 1gpp s ALA 3 CO 0.07 -1.56 1.20 1.17 0.00 0.00 0.00 175.76 176.64 1gpp n LYS 4 N -2.48 1.84 -0.13 0.00 4.81 -1.26 -2.39 118.16 118.55 1gpp n LYS 4 Ca 0.12 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1gpp n LYS 4 Cb 0.51 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1gpp n LYS 4 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gpp n GLY 5 N 0.91 1.59 3.69 3.14 0.00 -1.26 -5.01 105.19 108.25 1gpp n GLY 5 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1gpp n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gpp s THR 6 N -2.74 2.61 -0.13 2.61 2.01 -1.00 -4.72 115.64 114.27 1gpp s THR 6 Ca 0.00 0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 1gpp s THR 6 Cb 0.00 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1gpp s THR 6 CO 0.00 -0.00 0.65 0.20 -0.69 0.00 0.00 174.62 174.78 1gpp s ASN 7 N 2.79 6.82 -0.01 3.53 0.02 -1.26 -0.54 114.94 126.29 1gpp s ASN 7 Ca 0.81 0.99 0.03 0.00 -1.02 0.00 0.00 52.86 53.67 1gpp s ASN 7 Cb -0.45 -2.37 -0.03 0.00 0.02 0.00 0.00 41.25 38.41 1gpp s ASN 7 CO 0.36 -0.18 -0.07 -0.69 0.02 0.00 0.00 177.10 176.55 1gpp s VAL 8 N 1.29 3.66 -0.22 1.60 1.01 0.15 -1.18 120.40 126.72 1gpp s VAL 8 Ca 0.32 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 1gpp s VAL 8 Cb -0.16 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1gpp s VAL 8 CO 0.13 0.43 0.80 -0.22 0.00 0.00 0.00 175.10 176.25 1gpp s LEU 9 N -1.30 4.12 0.53 3.92 2.96 -0.67 -1.43 118.68 126.81 1gpp s LEU 9 Ca 0.16 1.04 -0.05 0.00 -0.22 0.00 0.00 54.13 55.07 1gpp s LEU 9 Cb -0.11 -3.15 -0.01 0.00 0.50 0.00 0.00 46.19 43.41 1gpp s LEU 9 CO 0.06 -0.45 0.82 -0.04 -1.32 0.00 0.00 176.35 175.43 1gpp s MET 10 N 2.51 3.17 0.50 1.98 -1.94 0.53 -0.72 119.30 125.33 1gpp s MET 10 Ca 0.35 -0.00 0.21 0.00 -1.71 0.00 0.00 55.69 54.54 1gpp s MET 10 Cb -0.16 -2.35 1.29 0.00 2.01 0.00 0.00 34.83 35.61 1gpp s MET 10 CO 0.09 -0.45 2.07 0.00 -0.01 0.00 0.00 175.02 176.72 1gpp h ALA 11 N 0.06 1.55 -0.06 3.03 0.00 -1.26 -1.07 119.26 121.50 1gpp h ALA 11 Ca -0.46 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1gpp h ALA 11 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1gpp h ALA 11 CO 0.61 0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 1gpp n ASP 12 N -4.03 0.55 0.00 0.00 5.68 -1.26 -4.87 116.55 112.61 1gpp n ASP 12 Ca -0.02 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 1gpp n ASP 12 Cb 0.21 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1gpp n ASP 12 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gpp n GLY 13 N 0.86 1.86 3.91 6.12 0.00 -0.41 -5.05 105.19 112.48 1gpp n GLY 13 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1gpp n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gpp s SER 14 N -2.41 5.17 0.20 1.61 1.04 -1.26 -4.78 113.70 113.26 1gpp s SER 14 Ca 0.00 0.73 0.05 0.00 0.48 0.00 0.00 55.95 57.21 1gpp s SER 14 Cb 0.00 -1.51 -0.03 0.00 0.10 0.00 0.00 66.02 64.58 1gpp s SER 14 CO 0.00 -1.40 0.25 0.27 0.98 0.00 0.00 173.24 173.34 1gpp s ILE 15 N -3.23 4.92 -0.00 -1.02 -4.36 -1.26 -0.35 121.20 115.90 1gpp s ILE 15 Ca 0.58 -1.02 -0.01 0.00 -0.26 0.00 0.00 60.65 59.93 1gpp s ILE 15 Cb -0.11 -3.60 -0.00 0.00 1.25 0.00 0.00 42.46 40.00 1gpp s ILE 15 CO 0.47 -0.22 0.03 -0.70 0.24 0.00 0.00 174.94 174.76 1gpp s GLU 16 N -3.55 0.17 0.38 0.37 2.56 -0.51 -4.89 118.70 113.22 1gpp s GLU 16 Ca 0.33 -0.19 -0.26 0.00 0.00 0.00 0.00 54.97 54.85 1gpp s GLU 16 Cb -0.10 0.07 -0.09 0.00 2.00 0.00 0.00 34.13 36.01 1gpp s GLU 16 CO 0.27 -0.03 1.21 0.00 -0.56 0.00 0.00 175.26 176.15 1gpp h ILE 18 N 2.51 0.76 0.00 0.00 6.09 -1.10 0.50 117.51 126.26 1gpp h ILE 18 Ca -0.49 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 62.73 1gpp h ILE 18 Cb 1.23 -0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1gpp h ILE 18 CO 0.63 0.15 0.00 -1.84 -3.07 0.00 0.00 178.15 174.02 1gpp n GLU 19 N -4.72 0.18 0.00 2.19 0.00 -1.26 -2.36 120.64 114.66 1gpp n GLU 19 Ca 0.22 0.40 0.11 0.00 0.00 0.00 0.00 57.16 57.89 1gpp n GLU 19 Cb 0.53 -1.83 0.09 0.00 0.00 0.00 0.00 31.44 30.22 1gpp n GLU 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1gpp n ASN 20 N -2.17 2.81 -4.76 -1.84 3.02 0.16 -4.94 115.26 107.54 1gpp n ASN 20 Ca 0.02 -1.90 -0.40 0.00 -0.03 0.00 0.00 54.58 52.27 1gpp n ASN 20 Cb 0.23 0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.40 1gpp n ASN 20 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1gpp s ILE 21 N -1.93 3.42 0.29 2.41 1.01 -1.00 -4.99 121.20 120.41 1gpp s ILE 21 Ca 0.26 1.38 0.11 0.00 0.00 0.00 0.00 60.65 62.39 1gpp s ILE 21 Cb 0.19 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1gpp s ILE 21 CO 0.31 0.29 -0.17 -1.61 0.00 0.00 0.00 174.94 173.76 1gpp s GLU 22 N -1.63 1.69 0.31 2.79 2.02 -1.26 -5.04 118.70 117.59 1gpp s GLU 22 Ca 0.47 -1.80 -0.30 0.00 0.02 0.00 0.00 54.97 53.36 1gpp s GLU 22 Cb -0.32 -1.71 -0.11 0.00 0.10 0.00 0.00 34.13 32.09 1gpp s GLU 22 CO 0.41 0.27 1.59 0.28 0.02 0.00 0.00 175.26 177.82 1gpp n VAL 23 N -0.65 1.23 0.00 2.63 0.31 -1.26 -1.49 118.33 119.11 1gpp n VAL 23 Ca -0.05 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1gpp n VAL 23 Cb 0.61 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1gpp n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gpp n GLY 24 N 1.79 3.21 3.70 2.92 0.00 0.07 -5.02 105.19 111.86 1gpp n GLY 24 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1gpp n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gpp s ASN 25 N -0.36 3.41 -0.17 1.61 0.02 -0.55 -4.69 114.94 114.20 1gpp s ASN 25 Ca 0.00 2.21 0.01 0.00 -1.02 0.00 0.00 52.86 54.06 1gpp s ASN 25 Cb 0.00 -2.57 0.01 0.00 0.02 0.00 0.00 41.25 38.71 1gpp s ASN 25 CO 0.00 -2.78 -0.18 -0.54 0.02 0.00 0.00 177.10 173.62 1gpp s LYS 26 N -4.46 3.07 0.43 -0.60 1.02 -1.26 -1.55 119.74 116.39 1gpp s LYS 26 Ca 0.69 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.88 1gpp s LYS 26 Cb -0.24 -2.60 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1gpp s LYS 26 CO 0.54 -0.14 0.65 0.14 -0.92 0.00 0.00 175.35 175.62 1gpp s VAL 27 N 1.16 4.13 -0.37 3.17 -7.23 0.16 -1.17 120.40 120.25 1gpp s VAL 27 Ca 0.01 -0.52 -0.28 0.00 -1.81 0.00 0.00 61.98 59.38 1gpp s VAL 27 Cb -0.14 -3.52 0.02 0.00 0.56 0.00 0.00 36.38 33.30 1gpp s VAL 27 CO -0.08 -0.35 1.07 -0.32 -0.31 0.00 0.00 175.10 175.10 1gpp s MET 28 N -4.51 3.94 0.89 4.82 1.75 0.10 -1.33 119.30 124.96 1gpp s MET 28 Ca 0.47 0.85 -0.11 0.00 -1.25 0.00 0.00 55.69 55.65 1gpp s MET 28 Cb -0.10 -3.79 0.13 0.00 2.84 0.00 0.00 34.83 33.90 1gpp s MET 28 CO 0.37 -1.04 1.09 0.20 -0.65 0.00 0.00 175.02 175.00 1gpp s GLY 29 N 1.91 1.63 0.52 2.11 0.00 1.00 -0.92 107.32 113.56 1gpp s GLY 29 Ca 0.45 0.09 0.34 0.00 0.00 0.00 0.00 44.72 45.60 1gpp s GLY 29 CO 0.20 0.56 2.02 0.07 0.00 0.00 0.00 173.10 175.95 1gpp h LYS 30 N -1.57 0.00 -0.56 2.90 2.10 -1.67 0.25 116.57 118.01 1gpp h LYS 30 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1gpp h LYS 30 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1gpp h LYS 30 CO 0.52 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.57 1gpp n ASP 31 N -2.89 3.35 0.00 7.07 5.75 -1.26 -4.92 116.55 123.66 1gpp n ASP 31 Ca -0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1gpp n ASP 31 Cb 0.21 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1gpp n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gpp n GLY 32 N 1.50 1.16 3.93 6.12 0.00 0.08 -4.75 105.19 113.22 1gpp n GLY 32 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1gpp n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gpp s ARG 33 N -0.38 3.34 0.65 1.61 0.52 -1.26 -4.75 118.95 118.68 1gpp s ARG 33 Ca 0.00 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.32 1gpp s ARG 33 Cb 0.00 -2.87 -0.00 0.00 0.52 0.00 0.00 34.95 32.60 1gpp s ARG 33 CO 0.00 0.47 1.16 -2.14 0.02 0.00 0.00 175.30 174.81 1gpp s PRO 34 N -3.55 2.72 -0.03 3.54 0.02 -1.26 -0.00 135.00 136.44 1gpp s PRO 34 Ca 0.34 1.60 0.02 0.00 0.02 0.00 0.00 61.00 62.98 1gpp s PRO 34 Cb -0.10 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.51 1gpp s PRO 34 CO 0.28 -1.35 -0.09 1.03 -0.33 0.00 0.00 177.00 176.54 1gpp s ARG 35 N -3.79 1.07 -0.15 5.54 1.81 -0.44 -4.71 118.95 118.28 1gpp s ARG 35 Ca 0.72 -0.30 -0.12 0.00 -1.72 0.00 0.00 55.73 54.30 1gpp s ARG 35 Cb -0.25 -0.98 -0.05 0.00 -0.45 0.00 0.00 34.95 33.22 1gpp s ARG 35 CO 0.39 0.08 0.25 -2.00 -0.68 0.00 0.00 175.30 173.34 1gpp s GLU 36 N 0.35 4.14 -0.04 3.54 2.12 -1.26 -0.66 118.70 126.88 1gpp s GLU 36 Ca -0.06 0.03 -0.26 0.00 0.36 0.00 0.00 54.97 55.03 1gpp s GLU 36 Cb -0.10 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1gpp s GLU 36 CO 0.01 0.34 0.83 0.08 -0.54 0.00 0.00 175.26 175.98 1gpp s VAL 37 N 0.19 4.96 -0.11 3.70 1.01 -0.60 -0.90 120.40 128.65 1gpp s VAL 37 Ca 0.15 1.73 0.02 0.00 0.00 0.00 0.00 61.98 63.88 1gpp s VAL 37 Cb -0.13 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1gpp s VAL 37 CO 0.03 0.20 0.12 2.30 0.00 0.00 0.00 175.10 177.74 1gpp n ILE 38 N 3.89 0.00 -3.52 2.22 -5.35 0.52 -0.75 119.36 116.38 1gpp n ILE 38 Ca 0.02 -0.46 -0.17 0.00 -0.27 0.00 0.00 62.75 61.88 1gpp n ILE 38 Cb 0.51 1.00 -0.06 0.00 -1.74 0.00 0.00 39.64 39.36 1gpp n ILE 38 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1gpp s LYS 39 N -1.12 1.07 -0.63 6.28 2.20 -1.17 -4.95 119.74 121.42 1gpp s LYS 39 Ca 0.01 0.14 0.06 0.00 -0.36 0.00 0.00 55.97 55.81 1gpp s LYS 39 Cb 0.02 0.50 0.26 0.00 -1.51 0.00 0.00 37.83 37.10 1gpp s LYS 39 CO 0.08 -0.36 0.77 1.28 -0.36 0.00 0.00 175.35 176.76 1gpp n LEU 40 N 0.74 3.85 -4.76 5.43 4.77 -1.26 -0.89 117.00 124.88 1gpp n LEU 40 Ca -0.19 -5.47 -0.41 0.00 -0.03 0.00 0.00 56.01 49.91 1gpp n LEU 40 Cb 0.58 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1gpp n LEU 40 CO 0.22 2.09 1.06 -2.16 -1.33 0.00 0.00 177.39 177.28 1gpp s PRO 41 N -2.59 4.28 0.05 3.23 0.04 -1.20 -4.77 135.00 134.04 1gpp s PRO 41 Ca 0.41 2.31 -0.03 0.00 0.04 0.00 0.00 61.00 63.73 1gpp s PRO 41 Cb 0.16 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 1gpp s PRO 41 CO -0.02 -0.35 0.02 1.03 0.04 0.00 0.00 177.00 177.72 1gpp s ARG 42 N -1.18 0.59 0.00 4.56 0.52 -1.26 0.20 118.95 122.37 1gpp s ARG 42 Ca 0.54 -1.00 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 1gpp s ARG 42 Cb -0.42 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.27 1gpp s ARG 42 CO 0.50 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 176.10 1gpp n GLY 43 N 0.45 -0.56 3.22 -3.53 0.00 -1.14 -5.01 105.19 98.61 1gpp n GLY 43 Ca -0.17 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 1gpp n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gpp s SER 44 N -4.00 2.34 -0.06 1.61 0.15 -1.26 -0.50 113.70 111.98 1gpp s SER 44 Ca 0.00 -0.43 -0.29 0.00 0.70 0.00 0.00 55.95 55.93 1gpp s SER 44 Cb 0.00 -0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.18 1gpp s SER 44 CO 0.00 0.20 0.81 -0.70 1.20 0.00 0.00 173.24 174.75 1gpp s GLU 45 N -0.79 0.89 0.24 5.44 2.12 -0.65 -4.94 118.70 121.01 1gpp s GLU 45 Ca 0.07 0.04 -0.31 0.00 0.36 0.00 0.00 54.97 55.14 1gpp s GLU 45 Cb -0.08 0.42 -0.14 0.00 0.26 0.00 0.00 34.13 34.59 1gpp s GLU 45 CO 0.00 -0.31 1.34 2.41 -0.54 0.00 0.00 175.26 178.16 1gpp n THR 46 N 0.51 1.12 -4.15 -1.70 -1.04 -1.26 -1.92 114.28 105.84 1gpp n THR 46 Ca -0.14 -0.28 -0.22 0.00 -2.04 0.00 0.00 64.05 61.36 1gpp n THR 46 Cb 0.59 -1.37 -0.06 0.00 -1.82 0.00 0.00 70.33 67.68 1gpp n THR 46 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1gpp s MET 47 N -0.63 2.54 -0.02 -2.82 1.00 -0.81 -0.77 119.30 117.79 1gpp s MET 47 Ca 0.67 -1.32 0.02 0.00 0.00 0.00 0.00 55.69 55.06 1gpp s MET 47 Cb -0.67 -2.32 0.00 0.00 0.00 0.00 0.00 34.83 31.84 1gpp s MET 47 CO 0.52 0.29 -0.08 0.71 0.00 0.00 0.00 175.02 176.46 1gpp s TYR 48 N -2.29 0.84 -0.17 -0.03 1.51 0.81 -0.42 117.35 117.61 1gpp s TYR 48 Ca 0.34 -0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 56.03 1gpp s TYR 48 Cb -0.06 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 1gpp s TYR 48 CO 0.23 -0.08 0.44 0.45 -1.11 0.00 0.00 175.55 175.48 1gpp s SER 49 N 0.18 6.56 -0.20 2.29 0.15 -0.19 -1.14 113.70 121.35 1gpp s SER 49 Ca -0.02 0.66 -0.06 0.00 0.70 0.00 0.00 55.95 57.23 1gpp s SER 49 Cb -0.08 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 1gpp s SER 49 CO 0.00 -0.05 0.04 -0.69 1.20 0.00 0.00 173.24 173.74 1gpp s VAL 50 N 1.04 4.32 -0.04 4.45 1.01 0.20 -1.29 120.40 130.08 1gpp s VAL 50 Ca 0.23 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1gpp s VAL 50 Cb -0.15 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1gpp s VAL 50 CO 0.09 0.42 -0.03 -0.69 0.00 0.00 0.00 175.10 174.88 1gpp s VAL 51 N 0.92 0.44 0.37 2.92 1.01 -0.31 -2.07 120.40 123.68 1gpp s VAL 51 Ca 0.03 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.69 1gpp s VAL 51 Cb -0.14 -0.49 -0.11 0.00 0.00 0.00 0.00 36.38 35.63 1gpp s VAL 51 CO 0.02 0.21 1.30 1.67 0.00 0.00 0.00 175.10 178.30 1gpp n GLN 52 N 4.19 2.11 -3.86 2.72 7.27 0.38 -0.55 117.38 129.65 1gpp n GLN 52 Ca -0.23 0.74 -0.36 0.00 0.07 0.00 0.00 57.00 57.22 1gpp n GLN 52 Cb 0.51 -2.37 -0.13 0.00 2.41 0.00 0.00 30.24 30.65 1gpp n GLN 52 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1gpp s LYS 53 N -2.00 3.12 0.00 3.69 -2.85 -0.18 -4.76 119.74 116.76 1gpp s LYS 53 Ca 0.57 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.73 1gpp s LYS 53 Cb -0.54 -3.15 0.00 0.00 -2.06 0.00 0.00 37.83 32.07 1gpp s LYS 53 CO 0.61 -0.35 0.00 0.45 0.10 0.00 0.00 175.35 176.16 1gpp n SER 54 N 4.79 -0.92 -0.00 0.03 2.88 -1.26 -4.36 113.62 114.78 1gpp n SER 54 Ca -0.16 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.17 1gpp n SER 54 Cb 0.49 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.81 1gpp n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gpp h MET 67 N 0.00 0.20 -7.29 -1.46 -0.00 -2.07 -3.51 114.93 100.80 1gpp h MET 67 Ca 0.00 -0.35 -0.52 0.00 -0.00 0.00 0.00 59.70 58.83 1gpp h MET 67 Cb 0.00 0.13 0.14 0.00 -0.00 0.00 0.00 31.60 31.87 1gpp h MET 67 CO 0.00 1.17 0.31 -2.14 -0.00 0.00 0.00 176.91 176.25 1gpp s PRO 68 N -2.43 2.16 0.44 -0.10 0.02 -1.26 -4.97 135.00 128.87 1gpp s PRO 68 Ca -0.19 1.25 -0.24 0.00 0.02 0.00 0.00 61.00 61.84 1gpp s PRO 68 Cb 0.03 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 1gpp s PRO 68 CO 0.75 -1.72 1.24 -1.21 -0.33 0.00 0.00 177.00 175.73 1gpp s GLU 69 N -4.76 3.80 0.33 5.54 0.41 -1.26 -4.97 118.70 117.80 1gpp s GLU 69 Ca 0.63 1.99 -0.28 0.00 -0.41 0.00 0.00 54.97 56.89 1gpp s GLU 69 Cb -0.18 -2.56 -0.10 0.00 -1.78 0.00 0.00 34.13 29.50 1gpp s GLU 69 CO 0.54 -0.58 1.27 -0.51 -0.49 0.00 0.00 175.26 175.50 1gpp s LEU 70 N -2.78 4.42 0.17 1.80 1.43 -1.26 -5.00 118.68 117.46 1gpp s LEU 70 Ca 0.61 2.62 -0.29 0.00 -1.03 0.00 0.00 54.13 56.04 1gpp s LEU 70 Cb -0.34 -3.68 -0.07 0.00 0.03 0.00 0.00 46.19 42.12 1gpp s LEU 70 CO 0.42 -0.51 0.91 -0.76 0.23 0.00 0.00 176.35 176.64 1gpp s LEU 71 N -1.83 4.58 0.05 1.79 1.43 -1.26 -4.86 118.68 118.58 1gpp s LEU 71 Ca 0.49 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.29 1gpp s LEU 71 Cb -0.38 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.32 1gpp s LEU 71 CO 0.50 0.08 0.24 -0.54 0.23 0.00 0.00 176.35 176.87 1gpp s LYS 72 N -0.70 0.77 0.13 1.70 1.02 -1.26 -0.47 119.74 120.93 1gpp s LYS 72 Ca 0.42 -0.63 -0.24 0.00 0.02 0.00 0.00 55.97 55.54 1gpp s LYS 72 Cb -0.24 0.33 0.07 0.00 -0.52 0.00 0.00 37.83 37.46 1gpp s LYS 72 CO 0.30 -0.24 0.72 -0.59 -0.92 0.00 0.00 175.35 174.62 1gpp s PHE 73 N -2.77 -0.41 -0.11 3.18 -0.12 -0.88 -5.01 117.98 111.87 1gpp s PHE 73 Ca -0.03 0.19 0.02 0.00 -0.05 0.00 0.00 56.93 57.05 1gpp s PHE 73 Cb -0.00 0.58 0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1gpp s PHE 73 CO -0.05 -0.81 -0.17 0.99 -0.05 0.00 0.00 175.22 175.12 1gpp s THR 74 N -3.57 1.64 0.28 -4.49 2.01 -1.26 -0.62 115.64 109.63 1gpp s THR 74 Ca 0.04 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.33 1gpp s THR 74 Cb -0.02 -1.47 -0.06 0.00 0.01 0.00 0.00 72.50 70.97 1gpp s THR 74 CO -0.08 0.47 0.07 0.00 -0.69 0.00 0.00 174.62 174.38 1gpp s ASN 76 N -3.39 4.71 0.35 0.00 2.20 -0.96 -0.13 114.94 117.72 1gpp s ASN 76 Ca 0.36 0.76 0.03 0.00 -0.94 0.00 0.00 52.86 53.07 1gpp s ASN 76 Cb 0.08 -1.33 0.66 0.00 -2.00 0.00 0.00 41.25 38.65 1gpp s ASN 76 CO 0.14 -1.75 2.00 0.00 -2.94 0.00 0.00 177.10 174.55 1gpp h ALA 77 N -0.89 1.58 -0.09 3.54 0.00 -1.27 -2.16 119.26 119.97 1gpp h ALA 77 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1gpp h ALA 77 Cb 1.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1gpp h ALA 77 CO 0.64 0.37 0.00 0.25 0.00 0.00 0.00 179.25 180.52 1gpp n THR 78 N -4.45 0.10 -2.01 0.00 -2.24 -1.26 -1.47 114.28 102.95 1gpp n THR 78 Ca 0.07 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 1gpp n THR 78 Cb 0.08 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 1gpp n THR 78 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1gpp s HIS 79 N -1.90 3.01 -0.28 4.78 2.46 -0.81 -4.74 115.29 117.81 1gpp s HIS 79 Ca 0.35 1.02 -0.18 0.00 0.47 0.00 0.00 55.06 56.71 1gpp s HIS 79 Cb 0.20 -3.83 -0.02 0.00 -0.13 0.00 0.00 32.58 28.80 1gpp s HIS 79 CO 0.31 -2.69 0.53 -1.21 -2.47 0.00 0.00 174.74 169.21 1gpp s GLU 80 N -0.38 4.00 0.26 2.88 2.02 -1.26 -1.04 118.70 125.19 1gpp s GLU 80 Ca 0.59 0.27 -0.29 0.00 0.02 0.00 0.00 54.97 55.56 1gpp s GLU 80 Cb -0.42 -3.68 -0.09 0.00 0.10 0.00 0.00 34.13 30.04 1gpp s GLU 80 CO 0.43 -0.41 1.18 -0.51 0.02 0.00 0.00 175.26 175.98 1gpp s LEU 81 N 2.36 4.49 -0.45 1.80 1.43 0.15 -4.34 118.68 124.12 1gpp s LEU 81 Ca 0.21 2.37 -0.20 0.00 -1.03 0.00 0.00 54.13 55.48 1gpp s LEU 81 Cb -0.16 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.47 1gpp s LEU 81 CO 0.10 -0.31 0.59 -0.69 0.23 0.00 0.00 176.35 176.26 1gpp s VAL 82 N -0.81 4.90 0.23 -1.59 1.01 -1.26 -2.27 120.40 120.61 1gpp s VAL 82 Ca 0.48 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.44 1gpp s VAL 82 Cb -0.34 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 1gpp s VAL 82 CO 0.43 -0.59 -0.13 0.68 0.00 0.00 0.00 175.10 175.49 1gpp s VAL 83 N 2.62 1.78 0.08 2.92 -7.23 -0.38 -4.37 120.40 115.82 1gpp s VAL 83 Ca 0.19 -2.21 0.05 0.00 -1.81 0.00 0.00 61.98 58.20 1gpp s VAL 83 Cb -0.16 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1gpp s VAL 83 CO 0.16 -0.50 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.18 1gpp s ARG 84 N -3.66 0.86 -0.01 4.82 0.52 -0.11 -1.46 118.95 119.91 1gpp s ARG 84 Ca 0.25 -1.00 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 1gpp s ARG 84 Cb 0.00 -0.86 0.02 0.00 0.52 0.00 0.00 34.95 34.63 1gpp s ARG 84 CO 0.09 0.19 0.02 0.99 0.02 0.00 0.00 175.30 176.60 1gpp s THR 85 N -1.39 -0.02 0.60 0.02 2.01 -0.74 -1.04 115.64 115.08 1gpp s THR 85 Ca -0.00 0.13 -0.19 0.00 0.31 0.00 0.00 61.69 61.94 1gpp s THR 85 Cb -0.09 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 1gpp s THR 85 CO 0.02 0.06 1.24 -2.16 -0.69 0.00 0.00 174.62 173.09 1gpp s PRO 86 N 0.66 2.89 -1.21 4.92 0.04 -1.26 -0.27 135.00 140.77 1gpp s PRO 86 Ca -0.06 1.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 1gpp s PRO 86 Cb -0.08 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1gpp s PRO 86 CO -0.02 -1.29 2.03 0.54 0.04 0.00 0.00 177.00 178.31 1gpp n ARG 87 N -1.62 2.41 -2.41 4.56 1.74 -0.64 -4.72 116.66 115.97 1gpp n ARG 87 Ca 0.14 -2.48 -0.41 0.00 -0.77 0.00 0.00 57.85 54.33 1gpp n ARG 87 Cb 0.49 -3.26 -0.04 0.00 -1.02 0.00 0.00 32.46 28.63 1gpp n ARG 87 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1gpp s SER 88 N 4.19 7.16 -0.06 0.55 0.15 -1.26 -4.86 113.70 119.57 1gpp s SER 88 Ca 0.53 2.25 0.02 0.00 0.70 0.00 0.00 55.95 59.45 1gpp s SER 88 Cb 0.11 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 1gpp s SER 88 CO 0.02 -0.28 -0.11 0.54 1.20 0.00 0.00 173.24 174.60 1gpp s VAL 89 N -0.51 1.04 0.09 4.45 0.11 -1.26 -1.73 120.40 122.60 1gpp s VAL 89 Ca 0.49 -0.43 0.06 0.00 -2.93 0.00 0.00 61.98 59.17 1gpp s VAL 89 Cb -0.32 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1gpp s VAL 89 CO 0.39 0.33 -0.15 -0.13 -3.33 0.00 0.00 175.10 172.21 1gpp s ARG 90 N 0.64 0.92 -0.08 1.54 0.52 0.34 -5.00 118.95 117.83 1gpp s ARG 90 Ca -0.13 -1.06 0.03 0.00 -0.52 0.00 0.00 55.73 54.05 1gpp s ARG 90 Cb -0.15 -0.93 -0.02 0.00 0.52 0.00 0.00 34.95 34.37 1gpp s ARG 90 CO 0.03 0.20 -0.18 1.03 0.02 0.00 0.00 175.30 176.41 1gpp s ARG 91 N -1.99 2.84 0.02 3.54 1.81 -1.26 -1.06 118.95 122.85 1gpp s ARG 91 Ca 0.02 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 1gpp s ARG 91 Cb -0.09 -2.39 -0.02 0.00 -0.45 0.00 0.00 34.95 32.01 1gpp s ARG 91 CO 0.03 0.39 -0.03 -0.51 -0.68 0.00 0.00 175.30 174.49 1gpp s LEU 92 N -0.13 2.18 -0.27 2.53 1.43 -0.37 -5.01 118.68 119.04 1gpp s LEU 92 Ca -0.03 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1gpp s LEU 92 Cb -0.14 0.02 -0.02 0.00 0.03 0.00 0.00 46.19 46.08 1gpp s LEU 92 CO 0.04 -0.20 0.09 -0.44 0.23 0.00 0.00 176.35 176.07 1gpp s SER 93 N -1.09 5.25 0.09 2.29 0.01 -1.26 -0.92 113.70 118.07 1gpp s SER 93 Ca -0.11 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 56.88 1gpp s SER 93 Cb -0.07 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 1gpp s SER 93 CO -0.01 -0.08 -0.09 -0.13 0.41 0.00 0.00 173.24 173.35 1gpp s ARG 94 N 1.61 0.80 -0.11 12.44 0.52 -1.10 -5.00 118.95 128.12 1gpp s ARG 94 Ca 0.06 -1.16 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 1gpp s ARG 94 Cb -0.16 -0.41 0.01 0.00 0.52 0.00 0.00 34.95 34.92 1gpp s ARG 94 CO 0.04 0.05 -0.15 0.99 0.02 0.00 0.00 175.30 176.25 1gpp s THR 95 N -2.64 1.48 -0.09 0.02 2.01 -1.26 -0.41 115.64 114.75 1gpp s THR 95 Ca 0.05 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1gpp s THR 95 Cb -0.02 -1.35 0.02 0.00 0.01 0.00 0.00 72.50 71.16 1gpp s THR 95 CO -0.01 0.44 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.61 1gpp s ILE 96 N 0.97 1.21 -1.49 1.82 -1.09 -0.50 -4.79 121.20 117.33 1gpp s ILE 96 Ca -0.07 -0.48 -0.11 0.00 -2.23 0.00 0.00 60.65 57.76 1gpp s ILE 96 Cb -0.15 -1.14 0.07 0.00 -1.58 0.00 0.00 42.46 39.66 1gpp s ILE 96 CO -0.01 0.38 0.92 0.29 -1.23 0.00 0.00 174.94 175.29 1gpp n LYS 97 N 4.23 -5.35 -0.90 2.79 5.02 -1.26 -1.60 118.16 121.09 1gpp n LYS 97 Ca -0.19 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1gpp n LYS 97 Cb 0.51 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 1gpp n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gpp n GLY 98 N -1.68 0.95 3.36 0.72 0.00 -1.26 -5.00 105.19 102.27 1gpp n GLY 98 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1gpp n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gpp s VAL 99 N -3.78 3.43 0.10 1.61 1.01 -0.63 -5.10 120.40 117.06 1gpp s VAL 99 Ca 0.00 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 1gpp s VAL 99 Cb 0.00 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 1gpp s VAL 99 CO 0.00 0.45 0.83 -1.83 0.00 0.00 0.00 175.10 174.56 1gpp s GLU 100 N 1.04 4.59 0.10 2.72 -1.05 -1.26 -1.40 118.70 123.44 1gpp s GLU 100 Ca 0.01 1.22 0.09 0.00 -0.15 0.00 0.00 54.97 56.13 1gpp s GLU 100 Cb -0.15 -3.34 -0.03 0.00 -0.44 0.00 0.00 34.13 30.17 1gpp s GLU 100 CO -0.00 0.35 -0.23 0.71 0.95 0.00 0.00 175.26 177.04 1gpp s TYR 101 N -0.38 1.99 -0.43 4.83 2.02 0.45 -1.02 117.35 124.81 1gpp s TYR 101 Ca 0.40 -0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.48 1gpp s TYR 101 Cb -0.22 -1.11 0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1gpp s TYR 101 CO 0.26 0.23 0.75 -0.06 -1.57 0.00 0.00 175.55 175.16 1gpp s PHE 102 N -1.06 3.04 -0.20 2.71 0.08 0.26 -2.70 117.98 120.10 1gpp s PHE 102 Ca 0.09 0.20 -0.11 0.00 0.12 0.00 0.00 56.93 57.23 1gpp s PHE 102 Cb -0.10 -3.52 -0.05 0.00 -0.57 0.00 0.00 43.02 38.78 1gpp s PHE 102 CO 0.04 -0.90 0.16 -2.00 -0.10 0.00 0.00 175.22 172.43 1gpp s GLU 103 N 3.13 4.18 -0.23 0.44 2.12 -0.10 -1.02 118.70 127.22 1gpp s GLU 103 Ca 0.28 -0.17 -0.01 0.00 0.36 0.00 0.00 54.97 55.43 1gpp s GLU 103 Cb -0.13 -3.44 0.02 0.00 0.26 0.00 0.00 34.13 30.84 1gpp s GLU 103 CO 0.21 0.25 -0.08 0.08 -0.54 0.00 0.00 175.26 175.17 1gpp s VAL 104 N 0.50 2.81 -0.19 3.70 1.01 0.34 -1.24 120.40 127.34 1gpp s VAL 104 Ca 0.09 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1gpp s VAL 104 Cb -0.12 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1gpp s VAL 104 CO 0.00 0.29 -0.05 -0.63 0.00 0.00 0.00 175.10 174.71 1gpp s ILE 105 N 1.34 3.56 0.23 2.22 1.01 -0.23 -1.46 121.20 127.86 1gpp s ILE 105 Ca 0.02 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.31 1gpp s ILE 105 Cb -0.16 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1gpp s ILE 105 CO -0.06 0.46 -0.17 0.42 0.00 0.00 0.00 174.94 175.59 1gpp s THR 106 N 0.93 2.04 -0.13 2.92 -4.23 -0.10 -0.50 115.64 116.58 1gpp s THR 106 Ca -0.00 -2.24 -0.14 0.00 -1.18 0.00 0.00 61.69 58.13 1gpp s THR 106 Cb -0.15 -2.11 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 1gpp s THR 106 CO 0.01 -0.47 0.31 -0.36 -0.54 0.00 0.00 174.62 173.58 1gpp s PHE 107 N -2.63 3.51 0.04 3.99 0.08 -0.70 -0.75 117.98 121.52 1gpp s PHE 107 Ca 0.24 0.67 0.01 0.00 0.12 0.00 0.00 56.93 57.98 1gpp s PHE 107 Cb -0.03 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1gpp s PHE 107 CO 0.10 0.33 -0.05 -1.21 -0.10 0.00 0.00 175.22 174.28 1gpp s GLU 108 N 0.15 0.45 0.03 0.44 2.02 0.24 -4.75 118.70 117.28 1gpp s GLU 108 Ca 0.18 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 1gpp s GLU 108 Cb -0.14 -0.08 -0.06 0.00 0.10 0.00 0.00 34.13 33.95 1gpp s GLU 108 CO 0.06 -0.01 1.32 1.41 0.02 0.00 0.00 175.26 178.06 1gpp s MET 109 N -1.77 4.34 0.00 1.61 -2.45 -1.26 -0.50 119.30 119.27 1gpp s MET 109 Ca -0.11 1.89 0.00 0.00 -1.25 0.00 0.00 55.69 56.23 1gpp s MET 109 Cb -0.08 -3.45 0.00 0.00 1.25 0.00 0.00 34.83 32.55 1gpp s MET 109 CO -0.01 -0.45 0.00 0.41 1.05 0.00 0.00 175.02 176.02 1gpp n GLY 110 N 3.46 4.46 3.21 2.11 0.00 0.26 -4.93 105.19 113.77 1gpp n GLY 110 Ca 0.11 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 1gpp n GLY 110 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gpp s GLN 111 N 1.82 0.83 -0.05 1.61 -2.07 -1.26 -1.01 119.66 119.53 1gpp s GLN 111 Ca 0.00 -0.84 -0.06 0.00 -1.82 0.00 0.00 55.36 52.64 1gpp s GLN 111 Cb 0.00 0.34 0.01 0.00 -1.09 0.00 0.00 33.01 32.27 1gpp s GLN 111 CO 0.00 -0.26 0.15 0.21 -1.32 0.00 0.00 175.29 174.07 1gpp s LYS 112 N -3.49 0.22 -0.15 9.60 2.20 -0.31 -4.94 119.74 122.87 1gpp s LYS 112 Ca 0.02 0.13 -0.25 0.00 -0.36 0.00 0.00 55.97 55.51 1gpp s LYS 112 Cb 0.03 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 1gpp s LYS 112 CO -0.09 -0.03 0.80 0.21 -0.36 0.00 0.00 175.35 175.87 1gpp s LYS 113 N -0.13 4.32 0.90 4.03 2.20 -1.26 -0.58 119.74 129.22 1gpp s LYS 113 Ca -0.02 0.97 -0.11 0.00 -0.36 0.00 0.00 55.97 56.44 1gpp s LYS 113 Cb -0.02 -3.55 0.13 0.00 -1.51 0.00 0.00 37.83 32.88 1gpp s LYS 113 CO 0.00 -0.25 1.09 0.00 -0.36 0.00 0.00 175.35 175.83 1gpp s ALA 114 N 1.88 1.54 0.50 3.13 0.00 0.55 -4.87 121.76 124.49 1gpp s ALA 114 Ca 0.38 -0.03 0.23 0.00 0.00 0.00 0.00 51.96 52.53 1gpp s ALA 114 Cb -0.17 -3.20 1.30 0.00 0.00 0.00 0.00 23.12 21.05 1gpp s ALA 114 CO 0.14 -2.36 1.95 -1.35 0.00 0.00 0.00 175.76 174.14 1gpp h PRO 115 N -1.56 0.13 -0.00 0.00 0.11 -1.97 0.52 132.00 129.24 1gpp h PRO 115 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1gpp h PRO 115 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1gpp h PRO 115 CO 0.54 0.09 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.01 1gpp n ASP 116 N -4.40 0.27 0.00 -2.05 5.68 -1.26 -4.92 116.55 109.87 1gpp n ASP 116 Ca 0.13 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.48 1gpp n ASP 116 Cb 0.64 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1gpp n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gpp n GLY 117 N 1.09 1.04 3.75 6.12 0.00 0.17 -5.06 105.19 112.30 1gpp n GLY 117 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1gpp n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gpp s ARG 118 N -0.90 4.25 -0.33 1.61 0.52 -1.26 -4.65 118.95 118.19 1gpp s ARG 118 Ca 0.00 2.34 -0.22 0.00 -0.52 0.00 0.00 55.73 57.32 1gpp s ARG 118 Cb 0.00 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.38 1gpp s ARG 118 CO 0.00 -0.42 0.73 0.42 0.02 0.00 0.00 175.30 176.05 1gpp s ILE 119 N -0.22 4.82 -0.15 1.52 1.01 -1.26 -0.33 121.20 126.58 1gpp s ILE 119 Ca 0.58 0.94 -0.04 0.00 0.00 0.00 0.00 60.65 62.13 1gpp s ILE 119 Cb -0.42 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 37.89 1gpp s ILE 119 CO 0.46 -0.29 -0.02 -0.69 0.00 0.00 0.00 174.94 174.40 1gpp s VAL 120 N 2.88 4.04 -0.09 2.92 1.01 0.26 -4.94 120.40 126.48 1gpp s VAL 120 Ca 0.29 -0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.70 1gpp s VAL 120 Cb -0.14 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1gpp s VAL 120 CO 0.14 0.50 0.87 -1.61 0.00 0.00 0.00 175.10 174.99 1gpp s GLU 121 N 0.27 4.42 0.30 2.72 2.02 -1.26 -1.16 118.70 126.02 1gpp s GLU 121 Ca -0.02 1.15 -0.17 0.00 0.02 0.00 0.00 54.97 55.95 1gpp s GLU 121 Cb -0.14 -3.51 0.02 0.00 0.10 0.00 0.00 34.13 30.61 1gpp s GLU 121 CO 0.02 -0.15 0.67 -0.48 0.02 0.00 0.00 175.26 175.34 1gpp s LEU 122 N 1.49 0.01 -0.00 1.80 0.05 -0.18 -4.94 118.68 116.90 1gpp s LEU 122 Ca 0.43 -0.86 -0.19 0.00 0.05 0.00 0.00 54.13 53.56 1gpp s LEU 122 Cb -0.18 2.48 -0.06 0.00 -2.05 0.00 0.00 46.19 46.38 1gpp s LEU 122 CO 0.19 -1.39 0.55 -0.69 -0.55 0.00 0.00 176.35 174.46 1gpp s VAL 123 N -3.49 4.93 0.05 1.48 1.01 -1.26 -0.57 120.40 122.54 1gpp s VAL 123 Ca 0.16 1.14 -0.01 0.00 0.00 0.00 0.00 61.98 63.26 1gpp s VAL 123 Cb -0.04 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1gpp s VAL 123 CO 0.09 0.46 -0.02 -1.59 0.00 0.00 0.00 175.10 174.04 1gpp s LYS 124 N -0.40 0.62 0.20 2.72 -2.85 0.35 -4.78 119.74 115.61 1gpp s LYS 124 Ca 0.29 -1.22 -0.30 0.00 -1.00 0.00 0.00 55.97 53.74 1gpp s LYS 124 Cb -0.18 0.21 -0.08 0.00 -2.06 0.00 0.00 37.83 35.73 1gpp s LYS 124 CO 0.16 -0.12 0.97 -1.21 0.10 0.00 0.00 175.35 175.25 1gpp s GLU 125 N -3.92 4.78 0.05 1.78 2.02 -1.26 -0.59 118.70 121.56 1gpp s GLU 125 Ca 0.07 1.51 0.06 0.00 0.02 0.00 0.00 54.97 56.64 1gpp s GLU 125 Cb 0.08 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 1gpp s GLU 125 CO -0.10 0.39 -0.17 0.08 0.02 0.00 0.00 175.26 175.48 1gpp s VAL 126 N -0.79 1.37 -0.01 2.63 1.01 0.07 -4.94 120.40 119.74 1gpp s VAL 126 Ca 0.43 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1gpp s VAL 126 Cb -0.26 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1gpp s VAL 126 CO 0.32 0.03 -0.10 -0.55 0.00 0.00 0.00 175.10 174.80 1gpp s SER 127 N -1.32 1.27 0.01 3.32 0.15 -1.26 -0.92 113.70 114.95 1gpp s SER 127 Ca 0.04 -0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.53 1gpp s SER 127 Cb -0.09 -0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.02 1gpp s SER 127 CO 0.02 0.12 -0.11 -0.54 1.20 0.00 0.00 173.24 173.92 1gpp s LYS 128 N -0.14 0.84 0.01 5.44 1.02 -0.54 -5.00 119.74 121.38 1gpp s LYS 128 Ca 0.02 -0.52 0.08 0.00 0.02 0.00 0.00 55.97 55.56 1gpp s LYS 128 Cb -0.05 -0.81 -0.02 0.00 -0.52 0.00 0.00 37.83 36.43 1gpp s LYS 128 CO -0.00 0.21 -0.23 -1.12 -0.92 0.00 0.00 175.35 173.29 1gpp s SER 129 N -0.64 2.76 -0.07 2.83 0.01 -1.26 -0.50 113.70 116.83 1gpp s SER 129 Ca 0.02 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.82 1gpp s SER 129 Cb -0.06 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.91 1gpp s SER 129 CO 0.00 0.25 -0.11 -0.31 0.41 0.00 0.00 173.24 173.49 1gpp s TYR 130 N -0.66 1.38 0.30 2.43 1.51 -0.19 -4.98 117.35 117.14 1gpp s TYR 130 Ca 0.09 -0.52 -0.29 0.00 -1.01 0.00 0.00 57.07 55.33 1gpp s TYR 130 Cb -0.09 -1.04 -0.10 0.00 -0.11 0.00 0.00 41.96 40.61 1gpp s TYR 130 CO 0.00 -0.30 1.44 -2.14 -1.11 0.00 0.00 175.55 173.44 1gpp s PRO 131 N 0.82 4.24 0.43 -1.71 0.02 -1.26 -0.58 135.00 136.97 1gpp s PRO 131 Ca -0.12 2.36 0.09 0.00 0.02 0.00 0.00 61.00 63.36 1gpp s PRO 131 Cb -0.15 -3.06 0.94 0.00 0.02 0.00 0.00 34.50 32.25 1gpp s PRO 131 CO 0.02 -0.41 2.07 0.28 -0.33 0.00 0.00 177.00 178.63 1gpp h VAL 132 N 3.30 1.09 -0.03 3.83 2.07 -1.39 -1.46 116.25 123.66 1gpp h VAL 132 Ca -0.48 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1gpp h VAL 132 Cb 1.22 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1gpp h VAL 132 CO 0.73 0.09 0.04 0.77 0.02 0.00 0.00 177.57 179.21 1gpp h SER 133 N 0.42 0.00 0.30 0.57 4.64 -1.90 -1.69 113.55 115.90 1gpp h SER 133 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1gpp h SER 133 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1gpp h SER 133 CO -0.02 0.00 -0.09 -0.62 -0.87 0.00 0.00 176.83 175.22 1gpp n GLU 134 N -3.74 0.78 0.00 4.77 -0.58 -0.55 -5.04 120.64 116.28 1gpp n GLU 134 Ca -0.02 -0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 1gpp n GLU 134 Cb 0.13 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1gpp n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1gpp n GLY 135 N 1.25 0.50 0.00 0.62 0.00 -0.64 -4.75 105.19 102.18 1gpp n GLY 135 Ca 0.15 -1.76 0.14 0.00 0.00 0.00 0.00 46.02 44.55 1gpp n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gpp n PRO 136 N 0.60 0.10 -0.21 1.61 -0.04 -1.26 -4.32 135.00 131.48 1gpp n PRO 136 Ca 0.00 0.02 -0.07 0.00 -0.04 0.00 0.00 63.50 63.41 1gpp n PRO 136 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1gpp n PRO 136 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1gpp h GLU 137 N 0.00 0.83 -0.46 0.54 3.07 -1.99 -0.86 114.58 115.72 1gpp h GLU 137 Ca 0.00 -0.11 -0.13 0.00 -0.50 0.00 0.00 59.36 58.62 1gpp h GLU 137 Cb 0.43 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1gpp h GLU 137 CO 0.00 0.66 -0.21 0.00 -1.40 0.00 0.00 179.01 178.06 1gpp h ARG 138 N 0.79 0.93 -0.64 2.33 2.47 -1.90 0.07 114.38 118.42 1gpp h ARG 138 Ca 0.20 -0.39 -0.09 0.00 -1.26 0.00 0.00 59.98 58.45 1gpp h ARG 138 Cb 0.09 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1gpp h ARG 138 CO -0.03 1.05 0.06 0.00 0.56 0.00 0.00 179.97 181.60 1gpp h ALA 139 N 0.94 0.85 -0.68 0.04 0.00 -1.79 -2.03 119.26 116.60 1gpp h ALA 139 Ca 0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1gpp h ALA 139 Cb 0.77 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1gpp h ALA 139 CO 0.06 0.66 0.27 -0.91 0.00 0.00 0.00 179.25 179.33 1gpp h ASN 140 N 1.00 0.93 -0.29 0.00 2.35 -0.78 -1.99 115.58 116.80 1gpp h ASN 140 Ca 0.19 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1gpp h ASN 140 Cb 0.50 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1gpp h ASN 140 CO 0.02 0.83 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.26 1gpp h GLU 141 N 0.99 0.65 -0.41 0.81 5.08 -0.75 -1.41 114.58 119.54 1gpp h GLU 141 Ca 0.23 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1gpp h GLU 141 Cb 0.20 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1gpp h GLU 141 CO -0.02 0.70 0.01 1.25 -1.00 0.00 0.00 179.01 179.95 1gpp h LEU 142 N 0.61 0.70 -0.56 1.33 5.85 -0.80 -0.10 115.31 122.34 1gpp h LEU 142 Ca 0.12 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1gpp h LEU 142 Cb 0.45 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1gpp h LEU 142 CO 0.02 0.83 0.32 0.58 -0.34 0.00 0.00 178.44 179.86 1gpp h VAL 143 N 0.55 1.02 -0.44 1.05 2.07 -1.11 -0.45 116.25 118.94 1gpp h VAL 143 Ca 0.12 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1gpp h VAL 143 Cb 0.47 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1gpp h VAL 143 CO 0.02 0.11 0.06 -0.33 0.02 0.00 0.00 177.57 177.45 1gpp h GLU 144 N 0.63 0.74 -0.58 1.57 5.08 -1.03 -0.09 114.58 120.91 1gpp h GLU 144 Ca 0.24 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1gpp h GLU 144 Cb 0.08 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1gpp h GLU 144 CO -0.13 0.78 0.10 0.66 -1.00 0.00 0.00 179.01 179.42 1gpp h SER 145 N 0.60 0.88 -0.21 1.42 4.64 -0.68 -2.30 113.55 117.89 1gpp h SER 145 Ca 0.13 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1gpp h SER 145 Cb 0.41 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1gpp h SER 145 CO 0.01 0.88 -0.05 0.22 -0.87 0.00 0.00 176.83 177.02 1gpp h TYR 146 N 0.88 0.45 0.00 4.77 3.20 -0.91 -1.76 116.97 123.60 1gpp h TYR 146 Ca 0.18 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1gpp h TYR 146 Cb 0.38 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1gpp h TYR 146 CO 0.02 0.64 0.00 0.00 -1.64 0.00 0.00 178.16 177.19 1gpp h ARG 147 N 0.13 0.00 -0.01 1.82 3.08 -0.79 -2.93 114.38 115.68 1gpp h ARG 147 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1gpp h ARG 147 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1gpp h ARG 147 CO 0.02 0.00 -0.34 0.36 -1.07 0.00 0.00 179.97 178.94 1gpp n LYS 148 N -3.07 1.89 0.06 0.04 -0.00 -0.89 -4.56 118.16 111.62 1gpp n LYS 148 Ca -0.02 -0.65 0.11 0.00 -0.00 0.00 0.00 58.31 57.75 1gpp n LYS 148 Cb 0.14 -1.21 0.44 0.00 -0.00 0.00 0.00 35.03 34.40 1gpp n LYS 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gpp n ALA 149 N -0.31 1.90 -2.77 0.58 0.00 -0.68 -4.74 120.51 114.49 1gpp n ALA 149 Ca 0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1gpp n ALA 149 Cb 0.29 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 1gpp n ALA 149 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gpp s SER 150 N -3.69 1.13 0.28 0.00 0.15 -1.26 -5.04 113.70 105.28 1gpp s SER 150 Ca 0.08 -0.47 0.16 0.00 0.70 0.00 0.00 55.95 56.42 1gpp s SER 150 Cb 0.12 -0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.49 1gpp s SER 150 CO 0.42 -0.09 1.42 0.78 1.20 0.00 0.00 173.24 176.96 1gpp h ASN 151 N 4.78 0.00 -2.82 5.45 2.35 -1.93 -3.45 115.58 119.96 1gpp h ASN 151 Ca -0.36 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 54.80 1gpp h ASN 151 Cb 1.19 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.52 1gpp h ASN 151 CO 0.43 0.44 -0.51 -0.54 -1.65 0.00 0.00 177.43 175.59 1gpp s LYS 152 N -2.99 3.28 0.00 0.81 1.02 -1.26 -5.02 119.74 115.58 1gpp s LYS 152 Ca 0.04 -0.58 0.29 0.00 0.02 0.00 0.00 55.97 55.74 1gpp s LYS 152 Cb 0.07 -2.92 1.46 0.00 -0.52 0.00 0.00 37.83 35.92 1gpp s LYS 152 CO 0.74 0.56 1.97 0.00 -0.92 0.00 0.00 175.35 177.70 1gpp n ALA 153 N -0.02 2.63 -2.15 5.17 0.00 -1.26 -4.86 120.51 120.02 1gpp n ALA 153 Ca -0.07 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 1gpp n ALA 153 Cb 0.52 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1gpp n ALA 153 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1gpp s TYR 154 N -1.99 0.80 0.07 0.00 -0.85 -1.26 -1.61 117.35 112.50 1gpp s TYR 154 Ca 0.42 -1.01 -0.22 0.00 -0.52 0.00 0.00 57.07 55.74 1gpp s TYR 154 Cb 0.21 -0.49 -0.06 0.00 0.38 0.00 0.00 41.96 42.00 1gpp s TYR 154 CO 0.34 -0.27 0.67 -0.06 -1.52 0.00 0.00 175.55 174.71 1gpp s PHE 155 N -3.77 3.79 -0.27 -3.49 0.08 0.63 -4.83 117.98 110.12 1gpp s PHE 155 Ca 0.13 1.39 -0.01 0.00 0.12 0.00 0.00 56.93 58.55 1gpp s PHE 155 Cb 0.06 -2.66 0.04 0.00 -0.57 0.00 0.00 43.02 39.90 1gpp s PHE 155 CO -0.05 0.45 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.49 1gpp s GLU 156 N -0.69 2.62 0.33 0.44 2.12 -1.26 -1.79 118.70 120.46 1gpp s GLU 156 Ca 0.33 -1.13 -0.06 0.00 0.36 0.00 0.00 54.97 54.47 1gpp s GLU 156 Cb -0.20 -3.07 0.03 0.00 0.26 0.00 0.00 34.13 31.14 1gpp s GLU 156 CO 0.21 -0.51 0.54 -2.67 -0.54 0.00 0.00 175.26 172.29 1gpp n TRP 157 N 4.64 -1.70 -4.02 5.30 4.27 -0.54 -5.03 117.44 120.36 1gpp n TRP 157 Ca -0.15 -1.93 -0.09 0.00 -3.89 0.00 0.00 57.50 51.44 1gpp n TRP 157 Cb 0.45 0.63 -0.11 0.00 -1.36 0.00 0.00 31.31 30.92 1gpp n TRP 157 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1gpp s THR 158 N -2.55 0.22 -0.17 -1.67 -1.32 -1.26 -1.25 115.64 107.64 1gpp s THR 158 Ca 0.21 -1.16 -0.10 0.00 -1.21 0.00 0.00 61.69 59.43 1gpp s THR 158 Cb -0.02 -0.62 0.05 0.00 -1.51 0.00 0.00 72.50 70.40 1gpp s THR 158 CO 0.15 -0.60 0.41 -0.51 -2.21 0.00 0.00 174.62 171.87 1gpp s ILE 159 N -2.03 -0.02 0.52 5.08 2.07 -0.96 -4.96 121.20 120.90 1gpp s ILE 159 Ca -0.09 0.07 -0.23 0.00 -1.41 0.00 0.00 60.65 58.99 1gpp s ILE 159 Cb -0.06 -0.61 -0.06 0.00 0.13 0.00 0.00 42.46 41.86 1gpp s ILE 159 CO -0.03 0.03 1.40 -0.62 -1.91 0.00 0.00 174.94 173.81 1gpp n GLU 160 N 3.95 1.91 -0.25 3.50 1.02 -1.26 -0.67 120.64 128.83 1gpp n GLU 160 Ca -0.21 0.69 0.04 0.00 -0.02 0.00 0.00 57.16 57.66 1gpp n GLU 160 Cb 0.56 -2.61 0.17 0.00 -0.02 0.00 0.00 31.44 29.53 1gpp n GLU 160 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gpp h ALA 161 N 1.74 1.04 0.00 0.62 0.00 -0.90 0.26 119.26 122.03 1gpp h ALA 161 Ca -0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1gpp h ALA 161 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1gpp h ALA 161 CO 0.58 -0.14 0.00 0.07 0.00 0.00 0.00 179.25 179.77 1gpp h ARG 162 N 0.52 0.00 -0.02 0.00 0.11 -1.55 -2.81 114.38 110.63 1gpp h ARG 162 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1gpp h ARG 162 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1gpp h ARG 162 CO -0.34 0.00 -0.25 -0.25 0.10 0.00 0.00 179.97 179.22 1gpp n ASP 163 N -2.56 2.35 0.17 0.08 8.00 0.06 -4.41 116.55 120.25 1gpp n ASP 163 Ca 0.00 -1.68 0.08 0.00 0.71 0.00 0.00 54.79 53.90 1gpp n ASP 163 Cb 0.20 0.25 0.59 0.00 -0.02 0.00 0.00 41.12 42.13 1gpp n ASP 163 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1gpp h LEU 164 N 3.29 0.12 -0.79 0.64 5.85 -1.30 -0.36 115.31 122.77 1gpp h LEU 164 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1gpp h LEU 164 Cb 0.83 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1gpp h LEU 164 CO 0.00 0.09 0.00 -1.54 -0.34 0.00 0.00 178.44 176.65 1gpp n SER 165 N -4.51 0.45 0.23 1.25 3.41 -1.26 -2.07 113.62 111.11 1gpp n SER 165 Ca -0.00 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.41 1gpp n SER 165 Cb 0.12 -0.74 0.44 0.00 -0.26 0.00 0.00 64.21 63.78 1gpp n SER 165 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1gpp h LEU 166 N 0.00 0.00 -9.94 1.04 3.38 -1.36 -3.45 115.31 104.98 1gpp h LEU 166 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1gpp h LEU 166 Cb 0.17 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.99 1gpp h LEU 166 CO 0.00 0.00 0.60 -0.76 0.09 0.00 0.00 178.44 178.37 1gpp s LEU 167 N -5.90 4.23 0.88 1.67 1.43 -0.88 -5.02 118.68 115.10 1gpp s LEU 167 Ca 0.05 2.63 -0.11 0.00 -1.03 0.00 0.00 54.13 55.66 1gpp s LEU 167 Cb 0.08 -3.89 0.12 0.00 0.03 0.00 0.00 46.19 42.53 1gpp s LEU 167 CO 0.58 -0.80 1.09 -0.83 0.23 0.00 0.00 176.35 176.63 1gpp s GLY 168 N -0.75 1.62 0.14 -3.19 0.00 -1.26 -4.73 107.32 99.15 1gpp s GLY 168 Ca 0.56 -0.06 -0.18 0.00 0.00 0.00 0.00 44.72 45.04 1gpp s GLY 168 CO 0.48 0.42 1.79 1.76 0.00 0.00 0.00 173.10 177.55 1gpp h SER 169 N -1.49 0.35 -0.27 1.64 0.02 -1.98 0.16 113.55 111.99 1gpp h SER 169 Ca -0.49 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 1gpp h SER 169 Cb 1.28 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1gpp h SER 169 CO 0.55 0.26 0.05 0.45 -1.14 0.00 0.00 176.83 176.99 1gpp h HIS 170 N 0.41 0.46 -0.48 3.45 3.86 -2.00 -1.57 115.15 119.29 1gpp h HIS 170 Ca 0.11 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1gpp h HIS 170 Cb -0.04 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1gpp h HIS 170 CO -0.05 0.54 0.13 0.28 0.86 0.00 0.00 177.93 179.68 1gpp h VAL 171 N 0.25 1.23 -0.43 2.45 2.07 -1.89 -2.55 116.25 117.39 1gpp h VAL 171 Ca 0.08 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1gpp h VAL 171 Cb 0.32 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1gpp h VAL 171 CO 0.00 0.29 0.26 -0.09 0.02 0.00 0.00 177.57 178.05 1gpp h ARG 172 N 0.64 0.51 -0.26 1.57 9.65 -0.57 -2.05 114.38 123.86 1gpp h ARG 172 Ca 0.15 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 1gpp h ARG 172 Cb 0.31 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1gpp h ARG 172 CO -0.00 0.33 -0.02 -0.22 2.80 0.00 0.00 179.97 182.87 1gpp h LYS 173 N 0.52 0.40 0.00 0.20 3.64 -1.16 -2.43 116.57 117.74 1gpp h LYS 173 Ca 0.17 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1gpp h LYS 173 Cb -0.01 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1gpp h LYS 173 CO -0.07 0.44 0.00 0.00 -2.27 0.00 0.00 179.45 177.55 1gpp n ALA 174 N -2.48 2.28 -2.08 5.00 0.00 -0.97 -4.88 120.51 117.37 1gpp n ALA 174 Ca 0.01 -0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 1gpp n ALA 174 Cb 0.23 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 1gpp n ALA 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1gpp s THR 175 N -3.08 4.39 0.13 0.00 2.01 -0.81 -4.36 115.64 113.91 1gpp s THR 175 Ca 0.11 1.95 0.01 0.00 0.31 0.00 0.00 61.69 64.07 1gpp s THR 175 Cb 0.14 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1gpp s THR 175 CO 0.58 0.41 -0.02 -0.72 -0.69 0.00 0.00 174.62 174.18 1gpp s TYR 176 N -0.56 0.99 0.55 4.92 1.13 -0.20 -4.69 117.35 119.49 1gpp s TYR 176 Ca 0.42 -1.00 0.09 0.00 -1.41 0.00 0.00 57.07 55.17 1gpp s TYR 176 Cb -0.24 -0.57 0.07 0.00 -1.10 0.00 0.00 41.96 40.12 1gpp s TYR 176 CO 0.29 -0.23 0.70 -0.65 -2.51 0.00 0.00 175.55 173.16 1gpp s GLN 177 N -3.89 2.34 0.08 -3.49 -0.21 -0.41 -0.94 119.66 113.13 1gpp s GLN 177 Ca 0.18 -1.67 0.03 0.00 0.02 0.00 0.00 55.36 53.91 1gpp s GLN 177 Cb 0.06 -2.56 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 1gpp s GLN 177 CO -0.01 -0.76 -0.08 0.95 -2.12 0.00 0.00 175.29 173.26 1gpp s THR 178 N -2.66 0.73 0.20 -0.19 -4.23 -1.26 -0.72 115.64 107.51 1gpp s THR 178 Ca 0.57 -1.49 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 1gpp s THR 178 Cb -0.05 -1.15 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 1gpp s THR 178 CO 0.35 -0.56 -0.11 -0.72 -0.54 0.00 0.00 174.62 173.04 1gpp s TYR 179 N -2.31 1.60 -0.53 3.99 1.13 0.20 -1.24 117.35 120.19 1gpp s TYR 179 Ca 0.01 -0.67 0.04 0.00 -1.41 0.00 0.00 57.07 55.05 1gpp s TYR 179 Cb -0.04 -0.80 0.17 0.00 -1.10 0.00 0.00 41.96 40.20 1gpp s TYR 179 CO -0.01 0.24 0.41 0.00 -2.51 0.00 0.00 175.55 173.68 1gpp n ALA 180 N -0.36 3.09 -1.55 9.51 0.00 -0.31 -0.74 120.51 130.16 1gpp n ALA 180 Ca -0.08 -3.69 -0.30 0.00 0.00 0.00 0.00 53.44 49.37 1gpp n ALA 180 Cb 0.61 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 19.28 1gpp n ALA 180 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1gpp s PRO 181 N -0.59 2.36 -0.08 0.00 0.04 -1.25 -4.68 135.00 130.80 1gpp s PRO 181 Ca 0.30 0.76 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 1gpp s PRO 181 Cb 0.01 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1gpp s PRO 181 CO -0.19 -1.46 0.77 0.42 0.04 0.00 0.00 177.00 176.59 1gpp s ILE 182 N -3.11 4.98 0.00 0.56 1.01 -1.26 -0.91 121.20 122.48 1gpp s ILE 182 Ca 0.60 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.82 1gpp s ILE 182 Cb -0.14 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1gpp s ILE 182 CO 0.55 0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1gpp n GLY 183 N 3.18 2.75 3.80 6.18 0.00 -0.13 -4.89 105.19 116.08 1gpp n GLY 183 Ca 0.01 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 1gpp n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpp s ALA 410 N -2.28 2.11 -1.66 4.61 0.00 -1.26 -3.27 121.76 120.01 1gpp s ALA 410 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1gpp s ALA 410 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1gpp s ALA 410 CO 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 175.76 173.87 1gpp n ALA 411 N -3.53 -0.24 -1.04 0.00 0.00 -1.26 -3.65 120.51 110.80 1gpp n ALA 411 Ca 0.07 0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.71 1gpp n ALA 411 Cb 0.57 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 1gpp n ALA 411 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1gpp n PHE 412 N -2.31 -0.06 -4.00 0.00 3.72 -1.20 -4.96 117.46 108.64 1gpp n PHE 412 Ca -0.16 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.00 1gpp n PHE 412 Cb 0.63 -2.15 -0.04 0.00 -0.94 0.00 0.00 39.48 36.99 1gpp n PHE 412 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1gpp s ALA 413 N -1.34 3.82 0.31 4.37 0.00 -1.24 -4.86 121.76 122.81 1gpp s ALA 413 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.51 1gpp s ALA 413 Cb 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 23.12 21.41 1gpp s ALA 413 CO 0.00 0.45 1.19 1.03 0.00 0.00 0.00 175.76 178.43 1gpp s ARG 414 N -3.40 4.50 0.49 0.00 1.81 -1.26 -0.96 118.95 120.13 1gpp s ARG 414 Ca 0.33 1.98 0.08 0.00 -1.72 0.00 0.00 55.73 56.40 1gpp s ARG 414 Cb -0.10 -3.12 0.02 0.00 -0.45 0.00 0.00 34.95 31.31 1gpp s ARG 414 CO 0.27 0.02 0.50 -1.21 -0.68 0.00 0.00 175.30 174.20 1gpp s GLU 415 N -1.63 2.43 -0.07 3.54 2.02 -0.08 -4.85 118.70 120.05 1gpp s GLU 415 Ca 0.47 -1.68 -0.01 0.00 0.02 0.00 0.00 54.97 53.78 1gpp s GLU 415 Cb -0.35 -2.39 0.03 0.00 0.10 0.00 0.00 34.13 31.51 1gpp s GLU 415 CO 0.46 -0.48 -0.03 0.00 0.02 0.00 0.00 175.26 175.23 1gpp s ARG 417 N 1.66 1.48 0.39 0.00 0.52 0.08 -4.98 118.95 118.11 1gpp s ARG 417 Ca 0.01 -0.51 -0.07 0.00 -0.52 0.00 0.00 55.73 54.64 1gpp s ARG 417 Cb -0.13 -1.32 -0.05 0.00 0.52 0.00 0.00 34.95 33.97 1gpp s ARG 417 CO -0.04 0.21 0.71 0.20 0.02 0.00 0.00 175.30 176.40 1gpp s GLY 418 N 0.06 1.80 -0.12 -3.53 0.00 -1.26 -0.63 107.32 103.63 1gpp s GLY 418 Ca -0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 44.72 44.21 1gpp s GLY 418 CO 0.01 -0.23 0.30 -0.11 0.00 0.00 0.00 173.10 173.08 1gpp s PHE 419 N -2.39 -0.35 0.47 1.90 -0.71 0.10 -4.91 117.98 112.08 1gpp s PHE 419 Ca 0.48 0.84 -0.14 0.00 -1.04 0.00 0.00 56.93 57.07 1gpp s PHE 419 Cb -0.10 0.12 -0.07 0.00 -1.21 0.00 0.00 43.02 41.75 1gpp s PHE 419 CO 0.34 -0.19 0.89 0.71 -1.34 0.00 0.00 175.22 175.64 1gpp s TYR 420 N 0.46 3.46 0.21 3.49 2.02 -1.26 -1.29 117.35 124.43 1gpp s TYR 420 Ca -0.02 1.29 -0.14 0.00 -0.37 0.00 0.00 57.07 57.83 1gpp s TYR 420 Cb -0.04 -2.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.88 1gpp s TYR 420 CO -0.02 -0.25 0.45 -0.59 -1.57 0.00 0.00 175.55 173.57 1gpp s PHE 421 N -2.51 0.21 0.04 2.71 -0.71 -1.26 -1.01 117.98 115.45 1gpp s PHE 421 Ca 0.56 -0.57 0.07 0.00 -1.04 0.00 0.00 56.93 55.94 1gpp s PHE 421 Cb -0.10 0.21 -0.02 0.00 -1.21 0.00 0.00 43.02 41.89 1gpp s PHE 421 CO 0.31 -0.92 -0.19 -1.21 -1.34 0.00 0.00 175.22 171.87 1gpp s GLU 422 N -3.96 1.29 -0.05 1.99 0.41 0.29 -4.75 118.70 113.93 1gpp s GLU 422 Ca 0.17 -0.92 0.02 0.00 -0.41 0.00 0.00 54.97 53.84 1gpp s GLU 422 Cb -0.00 -1.40 -0.03 0.00 -1.78 0.00 0.00 34.13 30.92 1gpp s GLU 422 CO 0.03 0.35 -0.09 -0.51 -0.49 0.00 0.00 175.26 174.56 1gpp s LEU 423 N -1.20 3.03 -0.10 1.80 1.02 -1.26 -1.16 118.68 120.82 1gpp s LEU 423 Ca 0.06 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.12 1gpp s LEU 423 Cb -0.09 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.47 1gpp s LEU 423 CO 0.02 0.34 -0.11 -1.58 0.02 0.00 0.00 176.35 175.03 1gpp s GLN 424 N -0.92 1.80 0.02 1.70 0.74 -0.41 -4.97 119.66 117.63 1gpp s GLN 424 Ca 0.13 -0.40 -0.30 0.00 0.05 0.00 0.00 55.36 54.83 1gpp s GLN 424 Cb -0.11 -1.63 -0.05 0.00 1.10 0.00 0.00 33.01 32.32 1gpp s GLN 424 CO 0.02 -0.11 1.22 -2.00 -0.55 0.00 0.00 175.29 173.87 1gpp s GLU 425 N 1.15 4.39 0.00 1.67 2.12 -1.26 -1.02 118.70 125.75 1gpp s GLU 425 Ca -0.05 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.05 1gpp s GLU 425 Cb -0.14 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1gpp s GLU 425 CO -0.03 -0.34 0.00 1.28 -0.54 0.00 0.00 175.26 175.63 1gpp n LEU 426 N 4.41 0.00 0.00 2.70 4.77 0.44 -4.96 117.00 124.36 1gpp n LEU 426 Ca 0.10 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.88 1gpp n LEU 426 Cb 0.46 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1gpp n LEU 426 CO 0.56 0.00 0.10 0.29 -1.33 0.00 0.00 177.39 177.01 1gpp n LYS 427 N 0.00 0.82 -2.23 3.23 4.76 -1.26 -4.50 118.16 118.97 1gpp n LYS 427 Ca 0.00 -2.67 -0.38 0.00 -2.87 0.00 0.00 58.31 52.39 1gpp n LYS 427 Cb 0.00 0.20 -0.01 0.00 -1.84 0.00 0.00 35.03 33.37 1gpp n LYS 427 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1gpp s GLU 428 N -3.84 4.00 0.27 1.97 1.03 -1.26 -1.92 118.70 118.94 1gpp s GLU 428 Ca 0.29 1.91 -0.11 0.00 0.03 0.00 0.00 54.97 57.09 1gpp s GLU 428 Cb -0.02 -2.67 -0.00 0.00 -0.80 0.00 0.00 34.13 30.64 1gpp s GLU 428 CO 0.19 -0.39 0.49 0.34 -1.33 0.00 0.00 175.26 174.56 1gpp s ASP 429 N -1.06 0.08 0.37 0.83 2.15 -0.81 -4.91 116.67 113.32 1gpp s ASP 429 Ca 0.58 -1.04 -0.26 0.00 0.43 0.00 0.00 52.55 52.26 1gpp s ASP 429 Cb -0.32 0.61 -0.09 0.00 -0.30 0.00 0.00 42.92 42.82 1gpp s ASP 429 CO 0.41 -1.19 1.11 -1.81 -0.17 0.00 0.00 175.17 173.51 1gpp s ASP 430 N -3.06 6.81 0.24 -0.34 1.01 -1.26 -1.63 116.67 118.43 1gpp s ASP 430 Ca 0.24 2.21 0.12 0.00 0.71 0.00 0.00 52.55 55.83 1gpp s ASP 430 Cb -0.01 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1gpp s ASP 430 CO 0.11 -0.47 -0.22 -0.72 0.21 0.00 0.00 175.17 174.09 1gpp s TYR 431 N -1.44 2.30 -0.10 4.23 -0.85 0.34 -4.40 117.35 117.43 1gpp s TYR 431 Ca 0.54 -0.34 -0.00 0.00 -0.52 0.00 0.00 57.07 56.74 1gpp s TYR 431 Cb -0.28 -1.06 0.02 0.00 0.38 0.00 0.00 41.96 41.02 1gpp s TYR 431 CO 0.35 0.62 -0.06 0.71 -1.52 0.00 0.00 175.55 175.64 1gpp s TYR 432 N -2.11 1.32 0.27 -3.49 1.51 -0.10 -2.88 117.35 111.86 1gpp s TYR 432 Ca 0.26 -0.61 0.11 0.00 -1.01 0.00 0.00 57.07 55.82 1gpp s TYR 432 Cb -0.06 -1.14 -0.05 0.00 -0.11 0.00 0.00 41.96 40.60 1gpp s TYR 432 CO 0.13 -0.46 -0.20 0.20 -1.11 0.00 0.00 175.55 174.11 1gpp s GLY 433 N 1.70 1.83 0.03 0.71 0.00 0.13 -0.93 107.32 110.79 1gpp s GLY 433 Ca 0.04 -1.84 0.05 0.00 0.00 0.00 0.00 44.72 42.97 1gpp s GLY 433 CO -0.07 -1.93 -0.13 -0.26 0.00 0.00 0.00 173.10 170.71 1gpp s ILE 434 N -2.50 1.06 -0.11 0.90 -4.36 -0.25 -3.22 121.20 112.73 1gpp s ILE 434 Ca 0.29 -0.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.76 1gpp s ILE 434 Cb -0.05 -0.96 -0.02 0.00 1.25 0.00 0.00 42.46 42.69 1gpp s ILE 434 CO 0.14 0.03 -0.13 -0.89 0.24 0.00 0.00 174.94 174.33 1gpp s THR 435 N -0.77 3.08 0.22 8.37 2.01 -0.07 -1.46 115.64 127.00 1gpp s THR 435 Ca 0.02 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1gpp s THR 435 Cb -0.07 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1gpp s THR 435 CO 0.01 0.55 0.38 -0.76 -0.69 0.00 0.00 174.62 174.10 1gpp s LEU 436 N 0.01 4.25 0.82 4.42 2.01 -1.26 -0.35 118.68 128.57 1gpp s LEU 436 Ca -0.04 0.27 -0.12 0.00 0.01 0.00 0.00 54.13 54.25 1gpp s LEU 436 Cb -0.14 -3.05 0.09 0.00 0.01 0.00 0.00 46.19 43.10 1gpp s LEU 436 CO 0.04 -0.06 1.14 -0.94 1.01 0.00 0.00 176.35 177.54 1gpp s SER 437 N -3.50 3.79 0.00 2.29 1.04 -0.08 -4.80 113.70 112.44 1gpp s SER 437 Ca 0.37 2.11 0.06 0.00 0.48 0.00 0.00 55.95 58.96 1gpp s SER 437 Cb -0.10 -2.56 0.18 0.00 0.10 0.00 0.00 66.02 63.64 1gpp s SER 437 CO 0.30 -2.52 1.15 0.47 0.98 0.00 0.00 173.24 173.61 1gpp n ASP 438 N -3.59 0.89 0.28 7.02 8.00 -1.26 -4.22 116.55 123.67 1gpp n ASP 438 Ca 0.11 -1.98 0.17 0.00 0.71 0.00 0.00 54.79 53.81 1gpp n ASP 438 Cb 0.52 -0.11 0.75 0.00 -0.02 0.00 0.00 41.12 42.27 1gpp n ASP 438 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1gpp h ASP 439 N 0.98 0.00 -3.47 -2.24 3.32 -1.98 -3.45 116.42 109.57 1gpp h ASP 439 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1gpp h ASP 439 Cb 0.22 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 1gpp h ASP 439 CO 0.00 0.03 -0.11 -1.20 -1.72 0.00 0.00 179.24 176.24 1gpp n SER 440 N -3.16 -1.10 -4.68 6.45 7.64 -1.26 -5.16 113.62 112.35 1gpp n SER 440 Ca -0.00 -2.50 -0.29 0.00 1.01 0.00 0.00 58.87 57.08 1gpp n SER 440 Cb 0.27 2.05 0.16 0.00 -1.01 0.00 0.00 64.21 65.69 1gpp n SER 440 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1gpp s ASP 441 N -2.72 2.97 -0.14 6.43 1.47 -1.26 -4.93 116.67 118.48 1gpp s ASP 441 Ca 0.23 1.50 0.14 0.00 1.18 0.00 0.00 52.55 55.60 1gpp s ASP 441 Cb -0.01 -2.17 0.65 0.00 -0.34 0.00 0.00 42.92 41.05 1gpp s ASP 441 CO 0.16 -2.96 1.52 1.41 0.68 0.00 0.00 175.17 175.99 1gpp n HIS 442 N -4.09 1.48 -3.50 2.11 8.25 -1.26 -4.94 115.22 113.26 1gpp n HIS 442 Ca 0.07 -0.55 -0.37 0.00 -0.26 0.00 0.00 57.72 56.60 1gpp n HIS 442 Cb 0.55 -0.31 -0.08 0.00 1.12 0.00 0.00 29.99 31.27 1gpp n HIS 442 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1gpp s GLN 443 N -2.09 4.20 0.30 -0.41 -0.21 -1.26 -4.46 119.66 115.74 1gpp s GLN 443 Ca 0.45 0.08 0.05 0.00 0.02 0.00 0.00 55.36 55.96 1gpp s GLN 443 Cb 0.31 -3.48 -0.03 0.00 1.00 0.00 0.00 33.01 30.81 1gpp s GLN 443 CO 0.18 0.12 0.24 -0.59 -2.12 0.00 0.00 175.29 173.11 1gpp s PHE 444 N 0.85 1.63 -0.11 0.91 -0.71 -0.08 -1.99 117.98 118.48 1gpp s PHE 444 Ca 0.16 -1.58 -0.01 0.00 -1.04 0.00 0.00 56.93 54.46 1gpp s PHE 444 Cb -0.14 -0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 40.94 1gpp s PHE 444 CO 0.05 -0.79 -0.08 -0.51 -1.34 0.00 0.00 175.22 172.56 1gpp s LEU 445 N -3.34 3.08 0.96 -1.99 1.43 -0.10 -1.06 118.68 117.66 1gpp s LEU 445 Ca 0.40 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 1gpp s LEU 445 Cb 0.03 -1.70 0.17 0.00 0.03 0.00 0.00 46.19 44.73 1gpp s LEU 445 CO 0.24 0.26 1.15 -0.76 0.23 0.00 0.00 176.35 177.47 1gpp s LEU 446 N -0.19 1.88 0.56 1.79 1.43 -0.43 -1.66 118.68 122.06 1gpp s LEU 446 Ca 0.02 0.85 0.33 0.00 -1.03 0.00 0.00 54.13 54.30 1gpp s LEU 446 Cb -0.13 -3.04 1.67 0.00 0.03 0.00 0.00 46.19 44.72 1gpp s LEU 446 CO 0.03 -2.84 2.13 0.00 0.23 0.00 0.00 176.35 175.90 1gpp h ALA 447 N -1.70 1.17 -0.31 4.21 0.00 -1.38 0.82 119.26 122.07 1gpp h ALA 447 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1gpp h ALA 447 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1gpp h ALA 447 CO 0.55 0.08 0.00 0.27 0.00 0.00 0.00 179.25 180.15 1gpp n ASN 448 N -3.40 1.81 0.00 0.00 0.23 -1.26 -4.92 115.26 107.72 1gpp n ASN 448 Ca -0.02 -2.04 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 1gpp n ASN 448 Cb 0.21 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 1gpp n ASN 448 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gpp n GLN 449 N 0.40 -0.23 -2.21 -3.83 6.02 0.28 -4.91 117.38 112.91 1gpp n GLN 449 Ca 0.11 0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.74 1gpp n GLN 449 Cb 0.30 -3.29 -0.03 0.00 1.02 0.00 0.00 30.24 28.24 1gpp n GLN 449 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1gpp s VAL 450 N -2.56 3.09 -0.14 5.09 1.01 -1.26 -1.16 120.40 124.48 1gpp s VAL 450 Ca 0.00 0.95 -0.27 0.00 0.00 0.00 0.00 61.98 62.66 1gpp s VAL 450 Cb 0.00 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1gpp s VAL 450 CO 0.00 0.17 0.92 -0.69 0.00 0.00 0.00 175.10 175.50 1gpp s VAL 451 N -0.30 4.83 0.18 2.92 1.01 -0.37 -1.31 120.40 127.35 1gpp s VAL 451 Ca 0.54 1.84 0.02 0.00 0.00 0.00 0.00 61.98 64.38 1gpp s VAL 451 Cb -0.37 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 1gpp s VAL 451 CO 0.42 0.01 0.01 0.68 0.00 0.00 0.00 175.10 176.22 1gpp s VAL 452 N 2.09 0.69 0.00 2.92 -7.23 -0.23 -4.58 120.40 114.06 1gpp s VAL 452 Ca 0.43 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1gpp s VAL 452 Cb -0.17 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1gpp s VAL 452 CO 0.15 -0.45 0.00 0.00 -0.31 0.00 0.00 175.10 174.49