#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7u s HIS 3 N 0.00 0.78 0.06 0.54 3.76 -0.61 -4.93 115.29 114.88 1s7u s HIS 3 Ca 0.00 -1.16 -0.21 0.00 -0.15 0.00 0.00 55.06 53.53 1s7u s HIS 3 Cb 0.00 -0.42 0.05 0.00 1.11 0.00 0.00 32.58 33.32 1s7u s HIS 3 CO 0.00 -0.53 0.50 -1.54 -0.85 0.00 0.00 174.74 172.32 1s7u s SER 4 N -3.03 -0.41 -0.01 1.40 1.04 -1.26 0.16 113.70 111.59 1s7u s SER 4 Ca 0.22 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.80 1s7u s SER 4 Cb 0.07 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1s7u s SER 4 CO 0.01 -0.74 -0.13 -0.32 0.98 0.00 0.00 173.24 173.05 1s7u s MET 5 N -2.62 1.02 0.03 4.02 1.75 -0.68 -0.45 119.30 122.38 1s7u s MET 5 Ca -0.04 -0.45 0.01 0.00 -1.25 0.00 0.00 55.69 53.96 1s7u s MET 5 Cb -0.00 -0.98 -0.02 0.00 2.84 0.00 0.00 34.83 36.66 1s7u s MET 5 CO -0.03 0.27 -0.05 1.03 -0.65 0.00 0.00 175.02 175.59 1s7u s ARG 6 N -0.29 0.42 -0.14 4.11 1.81 0.05 -2.04 118.95 122.87 1s7u s ARG 6 Ca 0.05 -0.72 0.02 0.00 -1.72 0.00 0.00 55.73 53.35 1s7u s ARG 6 Cb -0.05 -0.03 0.02 0.00 -0.45 0.00 0.00 34.95 34.44 1s7u s ARG 6 CO -0.00 -0.02 -0.18 0.71 -0.68 0.00 0.00 175.30 175.12 1s7u s TYR 7 N -1.65 2.42 -0.26 -0.53 1.51 0.69 -0.11 117.35 119.41 1s7u s TYR 7 Ca -0.12 -1.27 -0.07 0.00 -1.01 0.00 0.00 57.07 54.60 1s7u s TYR 7 Cb -0.08 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 1s7u s TYR 7 CO -0.01 -0.63 0.05 -0.06 -1.11 0.00 0.00 175.55 173.79 1s7u s PHE 8 N 1.08 3.08 0.02 2.71 0.40 0.40 -1.76 117.98 123.90 1s7u s PHE 8 Ca -0.02 -0.71 0.08 0.00 -0.60 0.00 0.00 56.93 55.68 1s7u s PHE 8 Cb -0.14 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.14 1s7u s PHE 8 CO -0.06 -0.47 -0.24 -1.21 0.70 0.00 0.00 175.22 173.95 1s7u s GLU 9 N 1.55 1.98 -0.01 0.44 2.02 0.10 -0.81 118.70 123.97 1s7u s GLU 9 Ca 0.05 -1.01 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 1s7u s GLU 9 Cb -0.16 -2.06 -0.00 0.00 0.10 0.00 0.00 34.13 32.01 1s7u s GLU 9 CO 0.02 0.54 0.02 0.99 0.02 0.00 0.00 175.26 176.85 1s7u s THR 10 N -0.78 0.02 -0.04 3.63 2.01 0.27 -1.01 115.64 119.74 1s7u s THR 10 Ca 0.12 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 1s7u s THR 10 Cb -0.10 -0.09 0.03 0.00 0.01 0.00 0.00 72.50 72.35 1s7u s THR 10 CO 0.02 -0.08 0.02 0.00 -0.69 0.00 0.00 174.62 173.89 1s7u s ALA 11 N -0.24 0.37 -0.13 7.40 0.00 -0.23 -1.02 121.76 127.91 1s7u s ALA 11 Ca -0.03 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1s7u s ALA 11 Cb -0.02 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1s7u s ALA 11 CO -0.00 -0.31 -0.16 0.14 0.00 0.00 0.00 175.76 175.43 1s7u s VAL 12 N 1.65 1.61 0.08 0.00 -7.23 -0.72 -1.17 120.40 114.61 1s7u s VAL 12 Ca -0.01 -0.68 -0.05 0.00 -1.81 0.00 0.00 61.98 59.42 1s7u s VAL 12 Cb -0.13 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 1s7u s VAL 12 CO -0.03 0.46 0.32 -0.94 -0.31 0.00 0.00 175.10 174.60 1s7u s SER 13 N 1.18 6.50 0.08 4.85 1.04 -0.43 -1.34 113.70 125.57 1s7u s SER 13 Ca -0.02 0.56 0.04 0.00 0.48 0.00 0.00 55.95 57.02 1s7u s SER 13 Cb -0.14 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 63.86 1s7u s SER 13 CO -0.06 0.15 -0.11 -0.13 0.98 0.00 0.00 173.24 174.08 1s7u s ARG 14 N -2.22 0.80 0.27 4.02 0.52 -1.26 -2.38 118.95 118.69 1s7u s ARG 14 Ca 0.34 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 1s7u s ARG 14 Cb -0.13 -0.59 -0.10 0.00 0.52 0.00 0.00 34.95 34.65 1s7u s ARG 14 CO 0.21 0.11 1.38 -2.14 0.02 0.00 0.00 175.30 174.88 1s7u s PRO 15 N -2.33 4.31 -1.25 3.54 0.02 -1.24 -2.32 135.00 135.73 1s7u s PRO 15 Ca 0.01 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.27 1s7u s PRO 15 Cb -0.06 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1s7u s PRO 15 CO 0.01 -0.32 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 1s7u n GLY 16 N 1.78 0.79 3.18 0.52 0.00 -1.26 -5.01 105.19 105.19 1s7u n GLY 16 Ca 0.04 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 1s7u n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s7u s LEU 17 N -3.19 2.19 0.01 0.99 2.01 -0.98 -5.04 118.68 114.66 1s7u s LEU 17 Ca 0.00 -0.58 -0.01 0.00 0.01 0.00 0.00 54.13 53.55 1s7u s LEU 17 Cb 0.00 -1.48 -0.00 0.00 0.01 0.00 0.00 46.19 44.72 1s7u s LEU 17 CO 0.00 0.07 0.83 -0.62 1.01 0.00 0.00 176.35 177.64 1s7u n GLU 18 N 4.15 -0.02 -4.28 1.70 1.02 -1.26 -4.72 120.64 117.23 1s7u n GLU 18 Ca -0.20 0.83 -0.20 0.00 -0.02 0.00 0.00 57.16 57.58 1s7u n GLU 18 Cb 0.51 -1.25 -0.11 0.00 -0.02 0.00 0.00 31.44 30.58 1s7u n GLU 18 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1s7u s GLU 19 N -3.11 1.13 0.52 3.49 0.41 -1.26 -5.06 118.70 114.81 1s7u s GLU 19 Ca -0.00 -1.31 -0.19 0.00 -0.41 0.00 0.00 54.97 53.05 1s7u s GLU 19 Cb 0.00 -1.08 -0.07 0.00 -1.78 0.00 0.00 34.13 31.20 1s7u s GLU 19 CO 0.02 0.21 1.07 -1.25 -0.49 0.00 0.00 175.26 174.82 1s7u s PRO 20 N -2.73 3.59 -0.05 0.39 0.04 -1.26 -4.82 135.00 130.17 1s7u s PRO 20 Ca 0.12 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.31 1s7u s PRO 20 Cb -0.05 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1s7u s PRO 20 CO 0.04 -0.62 0.81 0.50 0.04 0.00 0.00 177.00 177.78 1s7u s ARG 21 N -3.38 4.48 -0.20 4.56 3.52 -0.45 -4.85 118.95 122.62 1s7u s ARG 21 Ca 0.68 1.09 -0.04 0.00 -0.13 0.00 0.00 55.73 57.33 1s7u s ARG 21 Cb -0.18 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1s7u s ARG 21 CO 0.25 -0.00 -0.02 -0.47 -0.81 0.00 0.00 175.30 174.25 1s7u s TYR 22 N 0.96 3.00 -0.08 5.12 5.04 -1.26 -1.76 117.35 128.37 1s7u s TYR 22 Ca 0.43 -0.62 0.03 0.00 -2.44 0.00 0.00 57.07 54.47 1s7u s TYR 22 Cb -0.19 -2.08 0.01 0.00 0.35 0.00 0.00 41.96 40.05 1s7u s TYR 22 CO 0.21 -0.34 -0.16 0.42 -1.34 0.00 0.00 175.55 174.34 1s7u s ILE 23 N 1.15 1.43 -0.06 3.14 1.01 -0.19 -1.66 121.20 126.01 1s7u s ILE 23 Ca 0.02 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.07 1s7u s ILE 23 Cb -0.14 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 1s7u s ILE 23 CO 0.01 0.42 -0.20 -0.55 0.00 0.00 0.00 174.94 174.61 1s7u s SER 24 N 0.55 3.50 -0.07 3.58 0.15 -0.38 -0.56 113.70 120.46 1s7u s SER 24 Ca -0.16 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.13 1s7u s SER 24 Cb -0.16 -0.90 0.02 0.00 -1.71 0.00 0.00 66.02 63.26 1s7u s SER 24 CO 0.05 0.27 -0.11 -0.69 1.20 0.00 0.00 173.24 173.97 1s7u s VAL 25 N -0.31 1.06 -0.07 4.45 1.01 0.01 -1.17 120.40 125.37 1s7u s VAL 25 Ca 0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1s7u s VAL 25 Cb -0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1s7u s VAL 25 CO 0.02 0.34 0.15 -0.83 0.00 0.00 0.00 175.10 174.79 1s7u s GLY 26 N 0.89 2.15 -0.04 4.51 0.00 -0.81 -0.46 107.32 113.56 1s7u s GLY 26 Ca -0.10 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 43.93 1s7u s GLY 26 CO 0.01 -0.52 -0.09 -0.19 0.00 0.00 0.00 173.10 172.31 1s7u s TYR 27 N -1.15 1.10 -0.19 1.90 1.51 0.84 -1.07 117.35 120.29 1s7u s TYR 27 Ca 0.20 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1s7u s TYR 27 Cb -0.12 -0.83 -0.00 0.00 -0.11 0.00 0.00 41.96 40.90 1s7u s TYR 27 CO 0.10 -0.18 -0.11 0.08 -1.11 0.00 0.00 175.55 174.33 1s7u s VAL 28 N 0.53 2.89 -1.31 0.71 1.01 -0.67 -0.77 120.40 122.79 1s7u s VAL 28 Ca -0.09 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1s7u s VAL 28 Cb -0.13 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1s7u s VAL 28 CO 0.02 0.48 0.64 0.47 0.00 0.00 0.00 175.10 176.71 1s7u n ASP 29 N 4.44 -1.48 -1.27 3.32 8.00 0.41 -2.39 116.55 127.58 1s7u n ASP 29 Ca -0.19 -0.88 -0.16 0.00 0.71 0.00 0.00 54.79 54.26 1s7u n ASP 29 Cb 0.51 -3.78 -0.07 0.00 -0.02 0.00 0.00 41.12 37.76 1s7u n ASP 29 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s7u n ASN 30 N -3.01 -5.53 -4.22 -2.24 3.02 -1.26 -4.95 115.26 97.06 1s7u n ASN 30 Ca -0.28 0.41 -0.32 0.00 -0.03 0.00 0.00 54.58 54.36 1s7u n ASN 30 Cb 0.67 -4.53 -0.17 0.00 -0.61 0.00 0.00 39.78 35.14 1s7u n ASN 30 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1s7u s LYS 31 N -3.39 3.07 0.25 3.52 2.20 -1.00 -5.06 119.74 119.33 1s7u s LYS 31 Ca 0.00 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.44 1s7u s LYS 31 Cb 0.00 -2.34 -0.11 0.00 -1.51 0.00 0.00 37.83 33.87 1s7u s LYS 31 CO 0.00 0.15 1.56 -2.00 -0.36 0.00 0.00 175.35 174.71 1s7u s GLU 32 N 0.42 4.18 0.00 4.03 2.12 -1.26 -1.67 118.70 126.52 1s7u s GLU 32 Ca -0.17 2.47 0.00 0.00 0.36 0.00 0.00 54.97 57.64 1s7u s GLU 32 Cb -0.17 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.14 1s7u s GLU 32 CO 0.07 -0.59 0.00 1.97 -0.54 0.00 0.00 175.26 176.17 1s7u n PHE 33 N 2.75 0.00 -4.06 5.30 -1.74 -0.23 -4.39 117.46 115.08 1s7u n PHE 33 Ca 0.10 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.91 1s7u n PHE 33 Cb 0.38 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.28 1s7u n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1s7u s VAL 34 N -0.62 0.21 -0.24 1.97 -7.23 -1.22 -1.69 120.40 111.59 1s7u s VAL 34 Ca 0.00 -1.71 -0.21 0.00 -1.81 0.00 0.00 61.98 58.25 1s7u s VAL 34 Cb 0.00 -1.44 0.06 0.00 0.56 0.00 0.00 36.38 35.56 1s7u s VAL 34 CO 0.00 -0.94 0.63 -0.60 -0.31 0.00 0.00 175.10 173.87 1s7u s ARG 35 N -3.78 0.72 -0.03 4.82 3.52 -0.49 -1.93 118.95 121.79 1s7u s ARG 35 Ca 0.06 0.90 0.02 0.00 -0.13 0.00 0.00 55.73 56.57 1s7u s ARG 35 Cb 0.07 0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.80 1s7u s ARG 35 CO -0.10 -0.09 -0.07 0.12 -0.81 0.00 0.00 175.30 174.35 1s7u s PHE 36 N 0.45 0.82 -0.12 5.12 2.19 -0.32 -0.01 117.98 126.12 1s7u s PHE 36 Ca -0.01 -0.21 -0.04 0.00 0.33 0.00 0.00 56.93 57.01 1s7u s PHE 36 Cb -0.05 -0.62 0.06 0.00 -1.31 0.00 0.00 43.02 41.10 1s7u s PHE 36 CO -0.01 -0.12 0.16 0.34 1.83 0.00 0.00 175.22 177.42 1s7u s ASP 37 N 0.38 1.16 0.32 6.13 -1.08 -1.26 -1.25 116.67 121.07 1s7u s ASP 37 Ca -0.05 0.05 0.25 0.00 -0.52 0.00 0.00 52.55 52.28 1s7u s ASP 37 Cb -0.10 0.19 1.12 0.00 -1.46 0.00 0.00 42.92 42.68 1s7u s ASP 37 CO 0.00 -0.28 1.76 0.77 0.52 0.00 0.00 175.17 177.95 1s7u h SER 38 N 8.37 0.00 0.90 -0.34 4.64 -1.72 -2.63 113.55 122.77 1s7u h SER 38 Ca -0.14 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.04 1s7u h SER 38 Cb 1.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1s7u h SER 38 CO 0.20 0.00 -0.68 0.44 -0.87 0.00 0.00 176.83 175.92 1s7u h ASP 39 N 0.00 0.00 -3.15 4.97 5.19 -1.96 -3.46 116.42 118.01 1s7u h ASP 39 Ca 0.00 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.83 1s7u h ASP 39 Cb 0.30 0.00 0.17 0.00 0.18 0.00 0.00 39.33 39.98 1s7u h ASP 39 CO 0.00 0.68 -0.24 0.00 -3.12 0.00 0.00 179.24 176.56 1s7u n ALA 40 N -2.35 -0.75 -0.07 3.45 0.00 -0.99 -4.91 120.51 114.89 1s7u n ALA 40 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 1s7u n ALA 40 Cb 0.72 -1.91 -0.00 0.00 0.00 0.00 0.00 19.45 18.25 1s7u n ALA 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1s7u h GLU 41 N 0.30 0.08 -3.43 0.00 4.81 -1.89 -3.27 114.58 111.16 1s7u h GLU 41 Ca -0.46 -0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.09 1s7u h GLU 41 Cb 1.39 -0.02 -0.38 0.00 0.63 0.00 0.00 28.75 30.37 1s7u h GLU 41 CO 0.48 0.05 -0.44 1.21 -0.73 0.00 0.00 179.01 179.58 1s7u s ASN 42 N -5.25 4.96 -0.23 1.04 2.47 -1.26 -5.07 114.94 111.60 1s7u s ASN 42 Ca -0.13 -3.09 -0.34 0.00 0.42 0.00 0.00 52.86 49.72 1s7u s ASN 42 Cb 0.12 -1.77 -0.11 0.00 -1.45 0.00 0.00 41.25 38.04 1s7u s ASN 42 CO 0.70 -0.28 2.05 -2.65 -3.72 0.00 0.00 177.10 173.20 1s7u n PRO 43 N 3.10 1.61 -3.76 0.43 -0.02 -1.24 -4.95 135.00 130.17 1s7u n PRO 43 Ca 0.09 0.52 -0.12 0.00 -2.02 0.00 0.00 63.50 61.97 1s7u n PRO 43 Cb 0.35 -2.62 -0.08 0.00 -0.02 0.00 0.00 33.50 31.14 1s7u n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1s7u s ARG 44 N 5.26 0.72 0.03 -0.52 0.52 -1.26 -5.04 118.95 118.66 1s7u s ARG 44 Ca 1.01 -0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 55.59 1s7u s ARG 44 Cb -0.74 0.31 -0.06 0.00 0.52 0.00 0.00 34.95 34.99 1s7u s ARG 44 CO 0.49 -0.21 1.32 0.71 0.02 0.00 0.00 175.30 177.63 1s7u s TYR 45 N -1.84 3.12 0.06 -0.53 2.02 -1.26 -4.38 117.35 114.54 1s7u s TYR 45 Ca -0.10 1.02 0.09 0.00 -0.37 0.00 0.00 57.07 57.71 1s7u s TYR 45 Cb -0.03 -3.57 -0.03 0.00 -0.40 0.00 0.00 41.96 37.92 1s7u s TYR 45 CO 0.01 -1.99 -0.25 -1.21 -1.57 0.00 0.00 175.55 170.55 1s7u s GLU 46 N 1.78 1.63 0.48 -0.62 0.41 0.98 -4.90 118.70 118.46 1s7u s GLU 46 Ca 0.62 -1.10 -0.23 0.00 -0.41 0.00 0.00 54.97 53.85 1s7u s GLU 46 Cb -0.31 -1.83 -0.07 0.00 -1.78 0.00 0.00 34.13 30.14 1s7u s GLU 46 CO 0.27 0.47 1.21 -1.25 -0.49 0.00 0.00 175.26 175.47 1s7u s PRO 47 N -1.34 3.61 0.00 0.39 0.04 -1.26 -1.39 135.00 135.06 1s7u s PRO 47 Ca 0.11 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1s7u s PRO 47 Cb -0.10 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1s7u s PRO 47 CO 0.02 -0.70 0.29 0.54 0.04 0.00 0.00 177.00 177.19 1s7u n ARG 48 N -0.61 -0.54 -4.39 4.56 1.74 -0.68 -4.86 116.66 111.88 1s7u n ARG 48 Ca 0.08 -0.29 -0.19 0.00 -0.77 0.00 0.00 57.85 56.68 1s7u n ARG 48 Cb 0.47 -0.78 -0.14 0.00 -1.02 0.00 0.00 32.46 30.99 1s7u n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s7u s ALA 49 N -0.00 0.88 0.25 7.54 0.00 -1.25 -4.76 121.76 124.41 1s7u s ALA 49 Ca 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 1s7u s ALA 49 Cb 0.00 -0.19 0.51 0.00 0.00 0.00 0.00 23.12 23.44 1s7u s ALA 49 CO 0.00 0.20 1.73 -1.35 0.00 0.00 0.00 175.76 176.33 1s7u h PRO 50 N 5.65 0.44 0.00 0.00 0.11 -1.96 -2.13 132.00 134.11 1s7u h PRO 50 Ca -0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1s7u h PRO 50 Cb 1.18 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1s7u h PRO 50 CO 0.48 0.29 -0.03 0.11 -0.21 0.00 0.00 178.00 178.64 1s7u h TRP 51 N 0.45 0.00 0.00 0.65 5.08 -1.97 -2.45 115.95 117.71 1s7u h TRP 51 Ca 0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.41 1s7u h TRP 51 Cb 0.70 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.86 1s7u h TRP 51 CO -0.16 0.03 0.00 -1.33 -1.28 0.00 0.00 178.44 175.70 1s7u n MET 52 N -3.31 0.14 0.00 0.12 2.81 -0.80 -2.98 117.12 113.10 1s7u n MET 52 Ca -0.02 0.21 0.08 0.00 -1.81 0.00 0.00 57.70 56.16 1s7u n MET 52 Cb 0.16 -1.69 0.37 0.00 -0.71 0.00 0.00 33.22 31.35 1s7u n MET 52 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1s7u n GLU 53 N -1.94 0.10 -0.08 0.03 1.02 -0.92 -2.58 120.64 116.28 1s7u n GLU 53 Ca 0.05 0.18 0.20 0.00 -0.02 0.00 0.00 57.16 57.57 1s7u n GLU 53 Cb 0.32 -1.50 0.64 0.00 -0.02 0.00 0.00 31.44 30.88 1s7u n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1s7u h GLN 54 N 0.00 0.12 -6.83 3.49 4.20 -1.76 -3.44 115.11 110.89 1s7u h GLN 54 Ca 0.00 -0.01 -0.50 0.00 0.06 0.00 0.00 58.65 58.20 1s7u h GLN 54 Cb 0.22 -0.03 0.02 0.00 0.30 0.00 0.00 27.48 27.99 1s7u h GLN 54 CO 0.00 0.08 0.47 -1.21 -0.67 0.00 0.00 178.83 177.50 1s7u s GLU 55 N -5.12 4.57 0.82 1.46 0.41 -1.06 -5.03 118.70 114.74 1s7u s GLU 55 Ca -0.06 1.78 -0.12 0.00 -0.41 0.00 0.00 54.97 56.17 1s7u s GLU 55 Cb 0.20 -3.10 0.08 0.00 -1.78 0.00 0.00 34.13 29.53 1s7u s GLU 55 CO 0.75 0.15 1.15 0.20 -0.49 0.00 0.00 175.26 177.02 1s7u s GLY 56 N -0.95 1.60 0.61 -1.39 0.00 -1.26 -4.89 107.32 101.03 1s7u s GLY 56 Ca 0.46 -0.53 0.32 0.00 0.00 0.00 0.00 44.72 44.97 1s7u s GLY 56 CO 0.40 -0.05 2.14 -0.56 0.00 0.00 0.00 173.10 175.03 1s7u h PRO 57 N -1.10 0.00 -0.16 2.90 0.13 -1.98 -1.22 132.00 130.56 1s7u h PRO 57 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1s7u h PRO 57 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1s7u h PRO 57 CO 0.64 0.00 0.09 1.49 -0.23 0.00 0.00 178.00 179.99 1s7u h GLU 58 N 0.00 0.22 -0.07 0.86 4.81 -1.99 -1.65 114.58 116.76 1s7u h GLU 58 Ca 0.05 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1s7u h GLU 58 Cb 0.37 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1s7u h GLU 58 CO -0.00 0.22 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.44 1s7u h TYR 59 N 0.17 -0.33 -0.47 0.92 5.03 -1.58 -1.50 116.97 119.20 1s7u h TYR 59 Ca 0.06 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.32 1s7u h TYR 59 Cb 0.06 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.48 1s7u h TYR 59 CO -0.04 -0.20 0.06 -1.49 -1.32 0.00 0.00 178.16 175.17 1s7u h TRP 60 N -0.19 0.85 -0.37 -3.82 4.06 -1.53 -2.12 115.95 112.83 1s7u h TRP 60 Ca 0.07 -0.13 -0.04 0.00 2.06 0.00 0.00 58.89 60.86 1s7u h TRP 60 Cb 0.28 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 1s7u h TRP 60 CO -0.22 0.79 0.07 1.49 -3.56 0.00 0.00 178.44 177.01 1s7u h GLU 61 N 0.65 0.55 0.12 0.49 4.57 -1.16 -0.40 114.58 119.41 1s7u h GLU 61 Ca 0.14 -0.10 -0.18 0.00 -1.18 0.00 0.00 59.36 58.05 1s7u h GLU 61 Cb 0.42 -0.09 0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1s7u h GLU 61 CO 0.01 0.53 -0.80 0.00 -1.18 0.00 0.00 179.01 177.57 1s7u h ARG 62 N 0.54 0.26 -0.71 1.92 3.08 -1.09 -1.92 114.38 116.46 1s7u h ARG 62 Ca 0.12 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1s7u h ARG 62 Cb 0.24 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1s7u h ARG 62 CO -0.00 1.21 0.46 0.93 -1.07 0.00 0.00 179.97 181.50 1s7u h GLU 63 N -0.44 0.95 -0.28 0.04 4.39 -1.40 -0.62 114.58 117.22 1s7u h GLU 63 Ca -0.15 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1s7u h GLU 63 Cb 1.58 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 30.01 1s7u h GLU 63 CO 0.12 0.64 0.15 1.15 -1.16 0.00 0.00 179.01 179.91 1s7u h THR 64 N 0.97 1.13 -0.95 1.13 2.02 -1.03 0.23 112.91 116.40 1s7u h THR 64 Ca 0.26 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.11 1s7u h THR 64 Cb -0.09 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1s7u h THR 64 CO -0.05 0.13 0.62 1.56 0.37 0.00 0.00 175.52 178.15 1s7u h GLN 65 N 0.34 1.22 -0.55 6.66 1.08 -1.14 -0.29 115.11 122.43 1s7u h GLN 65 Ca 0.10 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1s7u h GLN 65 Cb 0.07 -0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 27.18 1s7u h GLN 65 CO -0.02 0.81 0.31 -0.22 -0.95 0.00 0.00 178.83 178.76 1s7u h LYS 66 N 1.25 0.59 -0.42 1.46 3.64 0.30 -1.45 116.57 121.94 1s7u h LYS 66 Ca 0.35 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1s7u h LYS 66 Cb -0.10 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1s7u h LYS 66 CO -0.09 0.39 -0.05 0.00 -2.27 0.00 0.00 179.45 177.43 1s7u h ALA 67 N 1.27 0.58 -0.81 5.00 0.00 0.04 -0.68 119.26 124.66 1s7u h ALA 67 Ca 0.23 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1s7u h ALA 67 Cb 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1s7u h ALA 67 CO -0.13 0.42 0.53 0.87 0.00 0.00 0.00 179.25 180.94 1s7u h LYS 68 N 0.62 0.92 -0.47 0.00 1.57 -0.90 0.38 116.57 118.69 1s7u h LYS 68 Ca 0.11 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1s7u h LYS 68 Cb 0.57 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1s7u h LYS 68 CO 0.03 0.61 -0.16 0.78 -0.57 0.00 0.00 179.45 180.14 1s7u h GLY 69 N 0.95 0.99 1.08 3.86 0.00 -0.81 -2.46 103.07 106.68 1s7u h GLY 69 Ca 0.34 -0.82 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1s7u h GLY 69 CO -0.11 0.75 0.24 1.46 0.00 0.00 0.00 176.54 178.88 1s7u h GLN 70 N 0.81 1.16 -0.21 4.80 1.08 -0.47 -1.64 115.11 120.64 1s7u h GLN 70 Ca 0.12 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1s7u h GLN 70 Cb 0.70 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1s7u h GLN 70 CO 0.05 0.98 0.13 1.49 -0.95 0.00 0.00 178.83 180.53 1s7u h GLU 71 N 1.11 0.28 -0.92 1.46 4.81 -0.69 0.37 114.58 121.00 1s7u h GLU 71 Ca 0.24 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1s7u h GLU 71 Cb 0.30 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1s7u h GLU 71 CO -0.01 0.21 0.55 1.96 -0.73 0.00 0.00 179.01 180.99 1s7u h GLN 72 N 0.26 1.26 -0.41 1.92 1.08 -1.33 -1.20 115.11 116.70 1s7u h GLN 72 Ca 0.08 -0.12 0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1s7u h GLN 72 Cb 0.00 -0.26 -0.04 0.00 -0.05 0.00 0.00 27.48 27.13 1s7u h GLN 72 CO -0.02 0.89 0.15 2.35 -0.95 0.00 0.00 178.83 181.25 1s7u h TRP 73 N 1.28 0.27 -0.33 2.96 7.01 -0.74 -0.53 115.95 125.86 1s7u h TRP 73 Ca 0.33 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 61.21 1s7u h TRP 73 Cb -0.04 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 1s7u h TRP 73 CO 0.00 0.11 -0.35 0.74 -2.79 0.00 0.00 178.44 176.15 1s7u h PHE 74 N 0.32 0.89 -0.29 2.65 -1.00 -0.65 -1.40 116.94 117.45 1s7u h PHE 74 Ca 0.19 -0.25 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1s7u h PHE 74 Cb 0.17 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 1s7u h PHE 74 CO -0.15 0.99 0.16 -0.09 -1.61 0.00 0.00 178.31 177.62 1s7u h ARG 75 N 0.63 0.41 -0.45 1.51 2.43 -0.84 0.78 114.38 118.85 1s7u h ARG 75 Ca 0.06 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1s7u h ARG 75 Cb 0.89 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1s7u h ARG 75 CO 0.08 0.36 0.08 0.28 -1.51 0.00 0.00 179.97 179.26 1s7u h VAL 76 N 0.36 1.24 -0.46 0.20 2.07 -0.95 -2.59 116.25 116.12 1s7u h VAL 76 Ca 0.10 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1s7u h VAL 76 Cb 0.07 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1s7u h VAL 76 CO -0.02 0.31 0.14 0.28 0.02 0.00 0.00 177.57 178.31 1s7u h SER 77 N 0.60 0.68 -0.61 0.57 0.02 -1.04 -1.00 113.55 112.77 1s7u h SER 77 Ca 0.14 -0.21 0.10 0.00 -0.84 0.00 0.00 61.79 60.98 1s7u h SER 77 Cb 0.37 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.66 1s7u h SER 77 CO 0.01 0.71 0.19 -0.07 -1.14 0.00 0.00 176.83 176.53 1s7u h LEU 78 N 0.62 0.14 -0.25 5.07 4.07 -0.76 -0.26 115.31 123.94 1s7u h LEU 78 Ca 0.15 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 1s7u h LEU 78 Cb 0.28 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1s7u h LEU 78 CO -0.00 0.08 0.11 -0.09 -1.08 0.00 0.00 178.44 177.45 1s7u h ARG 79 N 0.35 0.38 -0.65 1.13 2.43 -1.03 -2.45 114.38 114.53 1s7u h ARG 79 Ca 0.32 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1s7u h ARG 79 Cb 0.43 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1s7u h ARG 79 CO -0.35 0.41 0.42 -0.91 -1.51 0.00 0.00 179.97 178.02 1s7u h ASN 80 N 0.26 0.76 -0.11 -3.80 2.35 -0.71 -2.78 115.58 111.56 1s7u h ASN 80 Ca 0.08 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1s7u h ASN 80 Cb 0.17 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1s7u h ASN 80 CO -0.01 0.57 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.22 1s7u h LEU 81 N 0.88 0.34 -0.45 1.61 3.38 -0.92 -0.56 115.31 119.59 1s7u h LEU 81 Ca 0.24 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1s7u h LEU 81 Cb -0.08 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1s7u h LEU 81 CO -0.05 0.44 0.18 0.25 0.09 0.00 0.00 178.44 179.35 1s7u h LEU 82 N 0.35 0.21 -0.52 1.67 5.85 -1.15 -1.43 115.31 120.28 1s7u h LEU 82 Ca 0.08 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 1s7u h LEU 82 Cb 0.32 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1s7u h LEU 82 CO 0.01 0.15 -0.19 1.23 -0.34 0.00 0.00 178.44 179.31 1s7u h GLY 83 N 0.36 1.09 1.28 3.75 0.00 -1.30 -0.64 103.07 107.61 1s7u h GLY 83 Ca 0.21 -0.94 0.02 0.00 0.00 0.00 0.00 47.33 46.62 1s7u h GLY 83 CO -0.20 0.86 0.45 -0.97 0.00 0.00 0.00 176.54 176.67 1s7u h TYR 84 N 0.87 0.82 -0.42 5.60 0.05 -0.58 -2.56 116.97 120.75 1s7u h TYR 84 Ca 0.12 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1s7u h TYR 84 Cb 0.76 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1s7u h TYR 84 CO 0.05 0.50 0.00 0.66 -1.05 0.00 0.00 178.16 178.32 1s7u n TYR 85 N -4.45 0.56 -3.75 4.88 4.01 -0.59 -4.82 117.16 113.01 1s7u n TYR 85 Ca 0.08 -0.40 -0.24 0.00 -0.16 0.00 0.00 57.90 57.17 1s7u n TYR 85 Cb 0.08 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.14 1s7u n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1s7u n ASN 86 N 1.00 -3.03 -4.87 7.72 5.15 -0.50 -4.95 115.26 115.77 1s7u n ASN 86 Ca 0.16 -0.76 -0.36 0.00 -0.60 0.00 0.00 54.58 53.01 1s7u n ASN 86 Cb 0.49 -4.18 -0.06 0.00 -0.53 0.00 0.00 39.78 35.51 1s7u n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1s7u s GLN 87 N -6.19 3.64 0.53 1.20 -0.21 -0.37 -5.04 119.66 113.22 1s7u s GLN 87 Ca 0.29 0.05 0.06 0.00 0.02 0.00 0.00 55.36 55.78 1s7u s GLN 87 Cb -0.14 -3.14 0.05 0.00 1.00 0.00 0.00 33.01 30.78 1s7u s GLN 87 CO 0.80 0.69 0.72 -1.12 -2.12 0.00 0.00 175.29 174.27 1s7u s SER 88 N -1.36 5.27 0.76 5.90 0.01 -1.26 -4.71 113.70 118.31 1s7u s SER 88 Ca 0.23 -0.43 -0.14 0.00 1.31 0.00 0.00 55.95 56.92 1s7u s SER 88 Cb -0.14 -0.38 0.05 0.00 0.21 0.00 0.00 66.02 65.76 1s7u s SER 88 CO 0.12 -1.13 1.19 0.00 0.41 0.00 0.00 173.24 173.84 1s7u s ALA 89 N -2.62 2.04 0.00 1.44 0.00 -1.26 -4.23 121.76 117.14 1s7u s ALA 89 Ca 0.59 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1s7u s ALA 89 Cb -0.08 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1s7u s ALA 89 CO 0.37 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.56 1s7u n GLY 90 N 0.30 0.98 3.66 0.00 0.00 -1.26 -5.11 105.19 103.76 1s7u n GLY 90 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1s7u n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s7u s GLY 91 N -1.52 2.28 -0.05 -0.02 0.00 -1.26 -4.77 107.32 101.98 1s7u s GLY 91 Ca 0.00 -2.11 -0.06 0.00 0.00 0.00 0.00 44.72 42.55 1s7u s GLY 91 CO 0.00 -1.97 0.20 -0.56 0.00 0.00 0.00 173.10 170.77 1s7u s SER 92 N -3.77 6.43 -0.00 1.64 0.01 -1.26 -3.67 113.70 113.09 1s7u s SER 92 Ca 0.37 0.48 -0.05 0.00 1.31 0.00 0.00 55.95 58.06 1s7u s SER 92 Cb 0.04 -2.07 -0.00 0.00 0.21 0.00 0.00 66.02 64.20 1s7u s SER 92 CO 0.20 0.32 0.09 -1.00 0.41 0.00 0.00 173.24 173.26 1s7u s HIS 93 N -1.19 0.07 -0.05 2.43 0.09 -1.00 -5.00 115.29 110.64 1s7u s HIS 93 Ca 0.22 -0.17 0.01 0.00 -0.00 0.00 0.00 55.06 55.13 1s7u s HIS 93 Cb -0.13 -0.07 0.02 0.00 -0.00 0.00 0.00 32.58 32.40 1s7u s HIS 93 CO 0.12 -0.22 -0.06 0.99 -0.00 0.00 0.00 174.74 175.56 1s7u s THR 94 N -1.16 0.70 -0.12 1.30 2.01 -1.26 -1.32 115.64 115.79 1s7u s THR 94 Ca -0.13 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.69 1s7u s THR 94 Cb -0.07 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.75 1s7u s THR 94 CO 0.01 0.26 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.76 1s7u s LEU 95 N 0.90 2.05 0.09 4.42 2.96 -0.32 -1.42 118.68 127.36 1s7u s LEU 95 Ca -0.11 -0.56 0.07 0.00 -0.22 0.00 0.00 54.13 53.31 1s7u s LEU 95 Cb -0.15 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1s7u s LEU 95 CO 0.01 0.10 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.85 1s7u s GLN 96 N 0.66 1.04 -0.01 1.98 -0.21 -0.17 -1.07 119.66 121.88 1s7u s GLN 96 Ca -0.11 -1.08 0.01 0.00 0.02 0.00 0.00 55.36 54.20 1s7u s GLN 96 Cb -0.16 -1.21 0.01 0.00 1.00 0.00 0.00 33.01 32.64 1s7u s GLN 96 CO 0.02 0.28 -0.03 -1.14 -2.12 0.00 0.00 175.29 172.30 1s7u s GLN 97 N -1.80 0.33 -0.07 2.91 0.74 -0.18 -0.93 119.66 120.66 1s7u s GLN 97 Ca 0.04 -0.07 0.05 0.00 0.05 0.00 0.00 55.36 55.42 1s7u s GLN 97 Cb -0.10 -0.38 -0.00 0.00 1.10 0.00 0.00 33.01 33.63 1s7u s GLN 97 CO 0.03 0.01 -0.22 -1.64 -0.55 0.00 0.00 175.29 172.92 1s7u s MET 98 N 0.29 2.58 0.03 1.67 -1.94 -0.27 -0.72 119.30 120.94 1s7u s MET 98 Ca -0.03 -0.81 -0.15 0.00 -1.71 0.00 0.00 55.69 52.99 1s7u s MET 98 Cb -0.06 -2.07 0.02 0.00 2.01 0.00 0.00 34.83 34.74 1s7u s MET 98 CO -0.01 0.25 0.33 -1.54 -0.01 0.00 0.00 175.02 174.04 1s7u s SER 99 N 0.15 -0.17 0.00 3.03 1.04 -0.72 -0.88 113.70 116.14 1s7u s SER 99 Ca -0.11 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1s7u s SER 99 Cb -0.15 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1s7u s SER 99 CO 0.06 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1s7u n GLY 100 N 0.69 -0.19 3.19 7.32 0.00 -0.61 -0.23 105.19 115.36 1s7u n GLY 100 Ca -0.19 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 1s7u n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s7u s ASP 102 N -2.24 4.16 -0.01 0.00 1.01 0.93 -1.69 116.67 118.83 1s7u s ASP 102 Ca 0.04 -0.30 0.03 0.00 0.71 0.00 0.00 52.55 53.02 1s7u s ASP 102 Cb -0.06 -1.65 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 1s7u s ASP 102 CO 0.02 0.15 -0.06 -0.76 0.21 0.00 0.00 175.17 174.73 1s7u s LEU 103 N 0.45 3.22 0.00 1.23 1.43 0.12 -0.24 118.68 124.89 1s7u s LEU 103 Ca -0.08 -0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 1s7u s LEU 103 Cb -0.15 -1.83 0.27 0.00 0.03 0.00 0.00 46.19 44.51 1s7u s LEU 103 CO 0.04 0.29 1.09 0.61 0.23 0.00 0.00 176.35 178.62 1s7u n GLY 104 N 1.62 -2.47 0.26 -3.19 0.00 -0.46 -1.58 105.19 99.37 1s7u n GLY 104 Ca -0.16 -1.54 0.17 0.00 0.00 0.00 0.00 46.02 44.49 1s7u n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s7u h SER 105 N -2.42 0.00 0.00 1.61 4.64 -1.91 -1.11 113.55 114.36 1s7u h SER 105 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1s7u h SER 105 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1s7u h SER 105 CO 0.26 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.32 1s7u n ASP 106 N -2.97 0.00 -0.52 4.97 5.68 -1.26 -4.76 116.55 117.69 1s7u n ASP 106 Ca 0.01 -1.20 -0.07 0.00 -0.50 0.00 0.00 54.79 53.03 1s7u n ASP 106 Cb 0.29 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.24 1s7u n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1s7u n TRP 107 N -0.85 0.00 -3.72 2.11 7.02 -0.42 -5.00 117.44 116.57 1s7u n TRP 107 Ca 0.16 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.32 1s7u n TRP 107 Cb 0.07 -1.67 -0.05 0.00 -2.42 0.00 0.00 31.31 27.25 1s7u n TRP 107 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1s7u s ARG 108 N -2.21 3.59 0.00 -0.99 6.06 -1.26 -4.82 118.95 119.32 1s7u s ARG 108 Ca 0.00 -0.14 -0.30 0.00 -2.50 0.00 0.00 55.73 52.79 1s7u s ARG 108 Cb 0.00 -2.92 -0.07 0.00 0.06 0.00 0.00 34.95 32.02 1s7u s ARG 108 CO 0.00 0.52 1.76 -1.17 -2.50 0.00 0.00 175.30 173.91 1s7u s LEU 109 N -2.47 4.37 -0.25 -0.88 2.96 -1.26 -1.35 118.68 119.79 1s7u s LEU 109 Ca 0.38 2.43 -0.16 0.00 -0.22 0.00 0.00 54.13 56.56 1s7u s LEU 109 Cb -0.13 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.88 1s7u s LEU 109 CO 0.24 -0.96 -0.15 -0.11 -1.32 0.00 0.00 176.35 174.04 1s7u n LEU 110 N 6.98 1.98 -3.73 -0.68 7.94 0.66 -4.87 117.00 125.29 1s7u n LEU 110 Ca 0.18 0.34 -0.13 0.00 -1.11 0.00 0.00 56.01 55.30 1s7u n LEU 110 Cb 0.42 -0.88 -0.10 0.00 0.53 0.00 0.00 43.42 43.39 1s7u n LEU 110 CO 0.64 0.50 0.08 -0.60 -1.11 0.00 0.00 177.39 176.90 1s7u s ARG 111 N -2.46 0.46 0.22 1.96 3.52 -1.03 -4.99 118.95 116.63 1s7u s ARG 111 Ca -0.35 0.60 0.01 0.00 -0.13 0.00 0.00 55.73 55.85 1s7u s ARG 111 Cb 0.12 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.66 1s7u s ARG 111 CO 0.53 -0.07 0.40 0.20 -0.81 0.00 0.00 175.30 175.55 1s7u s GLY 112 N 0.40 1.63 -0.03 8.12 0.00 -1.26 -0.05 107.32 116.13 1s7u s GLY 112 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1s7u s GLY 112 CO -0.01 -0.89 0.01 -0.19 0.00 0.00 0.00 173.10 172.01 1s7u s TYR 113 N -1.94 0.24 -0.23 1.90 1.51 0.61 -4.87 117.35 114.57 1s7u s TYR 113 Ca 0.38 0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 56.44 1s7u s TYR 113 Cb -0.10 -0.36 0.11 0.00 -0.11 0.00 0.00 41.96 41.50 1s7u s TYR 113 CO 0.30 -0.12 0.27 -1.17 -1.11 0.00 0.00 175.55 173.72 1s7u s LEU 114 N 1.01 -0.25 0.03 -1.29 0.20 -1.26 -1.58 118.68 115.55 1s7u s LEU 114 Ca -0.10 -0.22 0.02 0.00 0.69 0.00 0.00 54.13 54.51 1s7u s LEU 114 Cb -0.13 0.57 -0.02 0.00 -0.43 0.00 0.00 46.19 46.17 1s7u s LEU 114 CO -0.02 -0.33 -0.06 -1.10 -0.29 0.00 0.00 176.35 174.54 1s7u s GLN 115 N 2.38 0.46 0.03 1.98 -0.21 -0.06 -0.46 119.66 123.77 1s7u s GLN 115 Ca 0.09 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 54.82 1s7u s GLN 115 Cb -0.15 -0.19 -0.02 0.00 1.00 0.00 0.00 33.01 33.65 1s7u s GLN 115 CO -0.17 0.03 -0.12 -0.06 -2.12 0.00 0.00 175.29 172.84 1s7u s PHE 116 N -1.34 1.08 0.03 0.91 0.40 0.06 -1.11 117.98 118.02 1s7u s PHE 116 Ca -0.11 -0.32 0.05 0.00 -0.60 0.00 0.00 56.93 55.95 1s7u s PHE 116 Cb -0.10 -0.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 1s7u s PHE 116 CO 0.00 0.01 -0.15 0.00 0.70 0.00 0.00 175.22 175.78 1s7u s ALA 117 N -0.75 1.29 -0.04 5.36 0.00 -0.11 -1.18 121.76 126.33 1s7u s ALA 117 Ca 0.01 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.18 1s7u s ALA 117 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1s7u s ALA 117 CO 0.01 0.26 -0.21 -0.47 0.00 0.00 0.00 175.76 175.35 1s7u s TYR 118 N -0.77 2.02 -1.16 0.00 5.04 -0.27 -1.00 117.35 121.20 1s7u s TYR 118 Ca 0.03 -0.51 -0.06 0.00 -2.44 0.00 0.00 57.07 54.09 1s7u s TYR 118 Cb -0.08 -1.33 0.05 0.00 0.35 0.00 0.00 41.96 40.96 1s7u s TYR 118 CO 0.01 -0.13 0.34 0.39 -1.34 0.00 0.00 175.55 174.82 1s7u n GLU 119 N 2.85 -3.09 -1.53 4.97 -0.58 -0.51 -1.40 120.64 121.36 1s7u n GLU 119 Ca -0.17 0.49 -0.10 0.00 -0.42 0.00 0.00 57.16 56.96 1s7u n GLU 119 Cb 0.52 -5.16 -0.03 0.00 -0.57 0.00 0.00 31.44 26.20 1s7u n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s7u n GLY 120 N -1.05 0.80 3.17 0.62 0.00 -1.26 -5.03 105.19 102.44 1s7u n GLY 120 Ca -0.05 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 1s7u n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s7u s ARG 121 N -3.27 1.15 -0.20 1.61 0.52 -0.49 -5.07 118.95 113.19 1s7u s ARG 121 Ca 0.00 -0.74 -0.41 0.00 -0.52 0.00 0.00 55.73 54.06 1s7u s ARG 121 Cb 0.00 -1.17 -0.18 0.00 0.52 0.00 0.00 34.95 34.12 1s7u s ARG 121 CO 0.00 0.30 1.51 -0.25 0.02 0.00 0.00 175.30 176.89 1s7u n ASP 122 N 2.15 1.57 -0.02 0.23 8.00 -1.26 -1.12 116.55 126.10 1s7u n ASP 122 Ca -0.17 1.13 -0.03 0.00 0.71 0.00 0.00 54.79 56.42 1s7u n ASP 122 Cb 0.54 -1.06 -0.01 0.00 -0.02 0.00 0.00 41.12 40.58 1s7u n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s7u n TYR 123 N 3.80 0.00 -3.80 1.24 9.36 -0.33 -4.78 117.16 122.66 1s7u n TYR 123 Ca 0.25 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.34 1s7u n TYR 123 Cb 0.09 -0.19 -0.10 0.00 -0.63 0.00 0.00 39.34 38.50 1s7u n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1s7u s ILE 124 N -2.11 0.04 -0.03 2.97 2.07 -1.20 -4.16 121.20 118.77 1s7u s ILE 124 Ca -0.11 -0.30 -0.02 0.00 -1.41 0.00 0.00 60.65 58.81 1s7u s ILE 124 Cb 0.02 -0.45 0.01 0.00 0.13 0.00 0.00 42.46 42.16 1s7u s ILE 124 CO 0.17 -0.16 0.08 0.00 -1.91 0.00 0.00 174.94 173.11 1s7u s ALA 125 N -0.63 -0.17 0.15 1.50 0.00 -0.46 -0.76 121.76 121.39 1s7u s ALA 125 Ca -0.07 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.84 1s7u s ALA 125 Cb -0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 1s7u s ALA 125 CO 0.02 -0.05 1.49 -1.17 0.00 0.00 0.00 175.76 176.04 1s7u s LEU 126 N 0.24 4.37 1.02 0.00 2.96 0.39 -1.14 118.68 126.52 1s7u s LEU 126 Ca -0.02 2.50 -0.13 0.00 -0.22 0.00 0.00 54.13 56.26 1s7u s LEU 126 Cb -0.03 -3.59 0.20 0.00 0.50 0.00 0.00 46.19 43.27 1s7u s LEU 126 CO -0.01 -0.75 1.11 0.20 -1.32 0.00 0.00 176.35 175.58 1s7u s ASN 127 N 1.08 2.48 0.47 3.68 0.01 0.39 -4.59 114.94 118.46 1s7u s ASN 127 Ca 0.67 1.02 0.25 0.00 -0.71 0.00 0.00 52.86 54.09 1s7u s ASN 127 Cb -0.41 -1.60 1.10 0.00 0.41 0.00 0.00 41.25 40.75 1s7u s ASN 127 CO 0.31 -3.20 1.91 -0.08 -1.51 0.00 0.00 177.10 174.53 1s7u h GLU 128 N -1.94 0.00 0.00 -0.60 4.81 -1.89 -1.11 114.58 113.85 1s7u h GLU 128 Ca -0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1s7u h GLU 128 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1s7u h GLU 128 CO 0.55 0.20 0.00 -0.40 -0.73 0.00 0.00 179.01 178.63 1s7u n ASP 129 N -3.49 0.41 -2.21 1.04 5.68 -1.26 -4.79 116.55 111.92 1s7u n ASP 129 Ca -0.01 0.65 -0.19 0.00 -0.50 0.00 0.00 54.79 54.74 1s7u n ASP 129 Cb 0.37 -0.72 -0.03 0.00 -1.14 0.00 0.00 41.12 39.60 1s7u n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1s7u n LEU 130 N -2.01 -1.70 0.00 -2.12 4.77 -0.42 -4.81 117.00 110.71 1s7u n LEU 130 Ca 0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1s7u n LEU 130 Cb 0.11 -2.77 0.00 0.00 -2.33 0.00 0.00 43.42 38.43 1s7u n LEU 130 CO 0.11 -0.39 -0.25 0.29 -1.33 0.00 0.00 177.39 175.82 1s7u n LYS 131 N -2.81 0.46 -4.33 3.23 5.02 -1.26 -4.54 118.16 113.92 1s7u n LYS 131 Ca -0.22 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.84 1s7u n LYS 131 Cb 0.66 -0.75 -0.08 0.00 -0.02 0.00 0.00 35.03 34.84 1s7u n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1s7u s THR 132 N -1.50 3.17 -0.06 -0.18 -4.23 -1.26 -4.84 115.64 106.74 1s7u s THR 132 Ca 0.00 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1s7u s THR 132 Cb 0.00 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1s7u s THR 132 CO 0.00 -0.37 -0.11 0.26 -0.54 0.00 0.00 174.62 173.86 1s7u s TRP 133 N -2.38 2.80 -0.23 3.99 0.52 -1.26 -0.46 118.94 121.91 1s7u s TRP 133 Ca 0.31 -0.11 -0.09 0.00 0.02 0.00 0.00 56.10 56.24 1s7u s TRP 133 Cb -0.06 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1s7u s TRP 133 CO 0.19 0.22 0.11 0.99 0.02 0.00 0.00 176.95 178.48 1s7u s THR 134 N -0.70 4.83 -0.19 2.01 2.01 -0.29 -4.91 115.64 118.40 1s7u s THR 134 Ca 0.11 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.06 1s7u s THR 134 Cb -0.11 -3.24 0.09 0.00 0.01 0.00 0.00 72.50 69.25 1s7u s THR 134 CO 0.01 0.36 0.26 0.00 -0.69 0.00 0.00 174.62 174.56 1s7u s ALA 135 N 1.17 -0.49 -0.09 7.40 0.00 -1.26 -1.36 121.76 127.13 1s7u s ALA 135 Ca 0.06 0.55 -0.27 0.00 0.00 0.00 0.00 51.96 52.30 1s7u s ALA 135 Cb -0.14 -1.31 -0.25 0.00 0.00 0.00 0.00 23.12 21.42 1s7u s ALA 135 CO 0.04 -1.07 0.93 0.00 0.00 0.00 0.00 175.76 175.66 1s7u h ALA 136 N 8.28 0.00 -2.80 0.00 0.00 -1.88 -3.46 119.26 119.41 1s7u h ALA 136 Ca -0.17 -0.47 -0.52 0.00 0.00 0.00 0.00 54.91 53.75 1s7u h ALA 136 Cb 1.14 0.01 0.09 0.00 0.00 0.00 0.00 17.79 19.03 1s7u h ALA 136 CO 0.24 0.03 0.52 -0.51 0.00 0.00 0.00 179.25 179.53 1s7u s ASP 137 N -6.24 5.84 0.35 0.00 1.11 -1.26 -4.91 116.67 111.55 1s7u s ASP 137 Ca -0.17 2.45 0.02 0.00 0.18 0.00 0.00 52.55 55.03 1s7u s ASP 137 Cb -0.01 -2.61 0.64 0.00 1.07 0.00 0.00 42.92 42.01 1s7u s ASP 137 CO 0.72 -1.16 2.01 0.24 1.18 0.00 0.00 175.17 178.16 1s7u h MET 138 N 1.79 0.84 0.00 8.23 2.86 -2.00 -2.22 114.93 124.43 1s7u h MET 138 Ca -0.50 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.03 1s7u h MET 138 Cb 1.27 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1s7u h MET 138 CO 0.59 0.55 -0.29 0.00 1.06 0.00 0.00 176.91 178.83 1s7u h ALA 139 N 1.60 1.08 0.00 6.32 0.00 -1.91 -2.95 119.26 123.40 1s7u h ALA 139 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s7u h ALA 139 Cb -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1s7u h ALA 139 CO -0.05 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1s7u h ALA 140 N 1.71 1.00 -0.44 0.00 0.00 -1.75 -3.30 119.26 116.49 1s7u h ALA 140 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1s7u h ALA 140 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1s7u h ALA 140 CO 0.04 0.00 0.29 1.96 0.00 0.00 0.00 179.25 181.54 1s7u h GLN 141 N 0.00 0.53 -0.31 0.00 1.08 -1.39 -1.94 115.11 113.07 1s7u h GLN 141 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1s7u h GLN 141 Cb 0.77 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 1s7u h GLN 141 CO 0.00 0.35 0.20 0.82 -0.95 0.00 0.00 178.83 179.25 1s7u h ILE 142 N 0.54 1.08 -0.59 2.54 2.04 -1.77 -1.10 117.51 120.25 1s7u h ILE 142 Ca 0.17 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1s7u h ILE 142 Cb 0.01 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1s7u h ILE 142 CO -0.04 0.07 0.38 0.74 0.00 0.00 0.00 178.15 179.30 1s7u h THR 143 N 0.41 1.16 -0.56 -0.27 2.02 -1.60 -2.46 112.91 111.60 1s7u h THR 143 Ca 0.11 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1s7u h THR 143 Cb -0.05 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 1s7u h THR 143 CO -0.03 0.16 0.36 -0.09 0.37 0.00 0.00 175.52 176.29 1s7u h ARG 144 N 0.79 0.75 0.15 6.66 2.43 -0.74 -1.00 114.38 123.43 1s7u h ARG 144 Ca 0.21 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1s7u h ARG 144 Cb -0.07 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1s7u h ARG 144 CO -0.04 0.51 -0.07 0.00 -1.51 0.00 0.00 179.97 178.85 1s7u h ARG 145 N 0.76 -0.19 -0.61 0.20 3.08 -1.12 -0.37 114.38 116.12 1s7u h ARG 145 Ca 0.21 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.37 1s7u h ARG 145 Cb -0.07 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 1s7u h ARG 145 CO -0.04 -0.08 0.22 0.87 -1.07 0.00 0.00 179.97 179.87 1s7u h LYS 146 N -0.26 0.38 -0.06 0.04 1.57 -1.24 0.17 116.57 117.18 1s7u h LYS 146 Ca -0.02 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 1s7u h LYS 146 Cb 0.20 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1s7u h LYS 146 CO 0.03 0.25 -0.69 -1.49 -0.57 0.00 0.00 179.45 176.99 1s7u h TRP 147 N 0.40 0.39 -0.40 -1.35 4.06 -1.06 -0.55 115.95 117.43 1s7u h TRP 147 Ca 0.31 -0.17 -0.06 0.00 2.06 0.00 0.00 58.89 61.03 1s7u h TRP 147 Cb 0.40 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1s7u h TRP 147 CO -0.17 0.88 0.01 0.93 -3.56 0.00 0.00 178.44 176.53 1s7u h GLU 148 N 0.20 0.70 0.00 0.49 5.08 -0.50 -1.35 114.58 119.21 1s7u h GLU 148 Ca -0.02 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1s7u h GLU 148 Cb 1.23 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1s7u h GLU 148 CO 0.11 0.79 -0.01 1.96 -1.00 0.00 0.00 179.01 180.85 1s7u h GLN 149 N 0.54 0.00 -0.10 2.33 4.20 -0.44 -3.03 115.11 118.61 1s7u h GLN 149 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1s7u h GLN 149 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1s7u h GLN 149 CO 0.02 0.01 0.00 -1.13 -0.67 0.00 0.00 178.83 177.06 1s7u n SER 150 N -3.10 2.58 -2.40 1.46 3.41 -0.24 -4.96 113.62 110.36 1s7u n SER 150 Ca 0.03 -1.85 -0.18 0.00 -0.26 0.00 0.00 58.87 56.61 1s7u n SER 150 Cb 0.48 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.40 1s7u n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s7u n GLY 151 N 1.31 -0.33 0.33 5.00 0.00 -1.11 -4.92 105.19 105.48 1s7u n GLY 151 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1s7u n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s7u h ALA 152 N 0.84 1.13 -0.73 4.61 0.00 -1.52 -2.99 119.26 120.60 1s7u h ALA 152 Ca -0.44 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1s7u h ALA 152 Cb 1.31 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1s7u h ALA 152 CO 0.48 0.39 0.28 0.00 0.00 0.00 0.00 179.25 180.40 1s7u h ALA 153 N 1.36 1.12 -0.99 0.00 0.00 -1.89 -1.69 119.26 117.17 1s7u h ALA 153 Ca 0.34 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1s7u h ALA 153 Cb 0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 1s7u h ALA 153 CO -0.12 0.63 0.65 0.93 0.00 0.00 0.00 179.25 181.34 1s7u h GLU 154 N 1.06 1.21 -0.35 0.00 3.07 -1.76 0.96 114.58 118.77 1s7u h GLU 154 Ca 0.24 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.92 1s7u h GLU 154 Cb 0.22 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1s7u h GLU 154 CO -0.02 0.80 -0.23 0.45 -1.40 0.00 0.00 179.01 178.61 1s7u h HIS 155 N 1.24 0.90 -0.25 4.33 3.86 -1.40 -1.79 115.15 122.03 1s7u h HIS 155 Ca 0.40 -0.24 -0.13 0.00 -1.16 0.00 0.00 60.37 59.24 1s7u h HIS 155 Cb 0.02 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1s7u h HIS 155 CO -0.00 0.99 -0.38 1.88 0.86 0.00 0.00 177.93 181.28 1s7u h TYR 156 N 0.55 0.67 -0.91 2.45 0.05 -1.04 -2.77 116.97 115.97 1s7u h TYR 156 Ca 0.07 -0.19 0.06 0.00 0.05 0.00 0.00 58.73 58.73 1s7u h TYR 156 Cb 0.79 -0.15 -0.06 0.00 1.01 0.00 0.00 36.73 38.32 1s7u h TYR 156 CO 0.06 0.86 0.58 -0.22 -1.05 0.00 0.00 178.16 178.39 1s7u h LYS 157 N 0.47 1.02 -0.69 4.88 3.64 -0.75 0.41 116.57 125.54 1s7u h LYS 157 Ca 0.05 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1s7u h LYS 157 Cb 0.87 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1s7u h LYS 157 CO 0.07 0.67 0.30 0.00 -2.27 0.00 0.00 179.45 178.22 1s7u h ALA 158 N 1.42 0.90 -0.28 5.00 0.00 -1.05 -0.87 119.26 124.39 1s7u h ALA 158 Ca 0.40 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1s7u h ALA 158 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1s7u h ALA 158 CO -0.17 0.50 -0.04 -0.92 0.00 0.00 0.00 179.25 178.61 1s7u h TYR 159 N 0.98 0.57 -0.27 0.00 3.20 -1.22 -1.68 116.97 118.56 1s7u h TYR 159 Ca 0.23 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 1s7u h TYR 159 Cb 0.18 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1s7u h TYR 159 CO 0.01 0.70 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.87 1s7u h LEU 160 N 0.28 0.57 0.00 2.82 3.38 -0.65 0.19 115.31 121.90 1s7u h LEU 160 Ca 0.07 -0.21 -0.19 0.00 0.09 0.00 0.00 57.88 57.64 1s7u h LEU 160 Cb 0.50 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1s7u h LEU 160 CO 0.02 0.84 -1.36 -0.33 0.09 0.00 0.00 178.44 177.70 1s7u h GLU 161 N 0.48 0.00 0.00 1.13 5.08 -1.23 -3.36 114.58 116.68 1s7u h GLU 161 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1s7u h GLU 161 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1s7u h GLU 161 CO 0.06 0.38 0.00 0.41 -1.00 0.00 0.00 179.01 178.86 1s7u n GLY 162 N 1.41 0.12 0.37 -3.84 0.00 -0.63 -4.60 105.19 98.01 1s7u n GLY 162 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1s7u n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s7u h GLU 163 N 0.00 -0.02 -0.46 1.61 5.08 -1.64 0.06 114.58 119.21 1s7u h GLU 163 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1s7u h GLU 163 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 1s7u h GLU 163 CO 0.00 -0.01 0.13 0.00 -1.00 0.00 0.00 179.01 178.13 1s7u h VAL 165 N 0.29 1.04 -0.82 0.00 2.07 -1.39 -2.31 116.25 115.12 1s7u h VAL 165 Ca 0.22 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1s7u h VAL 165 Cb 0.25 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1s7u h VAL 165 CO -0.25 0.15 0.51 -0.33 0.02 0.00 0.00 177.57 177.67 1s7u h GLU 166 N -0.45 1.11 0.02 1.57 4.39 -0.65 -0.61 114.58 119.95 1s7u h GLU 166 Ca -0.02 -0.09 -0.21 0.00 0.34 0.00 0.00 59.36 59.38 1s7u h GLU 166 Cb 0.37 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1s7u h GLU 166 CO 0.03 0.77 -0.94 -1.49 -1.16 0.00 0.00 179.01 176.22 1s7u h TRP 167 N 1.13 0.37 -0.64 4.33 4.06 -1.24 -2.65 115.95 121.30 1s7u h TRP 167 Ca 0.30 -0.21 -0.06 0.00 2.06 0.00 0.00 58.89 60.97 1s7u h TRP 167 Cb -0.06 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.04 1s7u h TRP 167 CO -0.01 1.05 0.14 1.25 -3.56 0.00 0.00 178.44 177.32 1s7u h LEU 168 N 0.12 0.96 -0.11 -4.49 5.85 -0.87 -0.17 115.31 116.60 1s7u h LEU 168 Ca -0.06 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.50 1s7u h LEU 168 Cb 1.59 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 1s7u h LEU 168 CO 0.15 0.93 -0.12 0.45 -0.34 0.00 0.00 178.44 179.51 1s7u h HIS 169 N 0.96 -0.31 -0.62 1.25 3.86 -1.05 -1.07 115.15 118.17 1s7u h HIS 169 Ca 0.20 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.50 1s7u h HIS 169 Cb 0.36 0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.92 1s7u h HIS 169 CO 0.02 -0.18 0.31 -0.09 0.86 0.00 0.00 177.93 178.85 1s7u h ARG 170 N -0.15 0.55 -0.40 2.45 2.43 -1.13 -2.25 114.38 115.87 1s7u h ARG 170 Ca 0.08 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 1s7u h ARG 170 Cb 0.27 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1s7u h ARG 170 CO -0.20 0.36 -0.12 1.88 -1.51 0.00 0.00 179.97 180.38 1s7u h TYR 171 N 0.57 0.79 -0.21 2.20 0.05 -0.80 -1.85 116.97 117.72 1s7u h TYR 171 Ca 0.29 -0.14 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 1s7u h TYR 171 Cb 0.25 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 1s7u h TYR 171 CO -0.11 0.80 -0.27 -0.07 -1.05 0.00 0.00 178.16 177.47 1s7u h LEU 172 N 0.65 0.39 0.13 3.88 3.38 -0.65 -1.69 115.31 121.41 1s7u h LEU 172 Ca 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1s7u h LEU 172 Cb 0.58 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1s7u h LEU 172 CO 0.04 0.66 -0.06 0.11 0.09 0.00 0.00 178.44 179.27 1s7u h LYS 173 N 0.35 -0.17 -0.61 1.13 1.57 -1.29 -2.85 116.57 114.71 1s7u h LYS 173 Ca 0.05 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.02 1s7u h LYS 173 Cb 0.66 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1s7u h LYS 173 CO 0.05 0.30 0.46 -0.91 -0.57 0.00 0.00 179.45 178.78 1s7u h ASN 174 N -0.85 0.00 -0.89 0.86 4.21 -1.28 -2.93 115.58 114.70 1s7u h ASN 174 Ca -0.02 0.00 -0.44 0.00 1.21 0.00 0.00 56.30 57.05 1s7u h ASN 174 Cb 0.54 0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 37.33 1s7u h ASN 174 CO 0.03 0.00 -0.95 0.61 -1.29 0.00 0.00 177.43 175.83 1s7u n GLY 175 N -1.64 4.16 0.26 2.83 0.00 -0.64 -4.87 105.19 105.30 1s7u n GLY 175 Ca 0.12 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 1s7u n GLY 175 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1s7u h ASN 176 N 2.54 0.96 0.00 1.61 -0.73 -1.30 -3.15 115.58 115.51 1s7u h ASN 176 Ca 0.13 -0.43 0.00 0.00 1.87 0.00 0.00 56.30 57.87 1s7u h ASN 176 Cb 1.26 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 39.58 1s7u h ASN 176 CO 0.58 1.22 0.00 0.00 -0.37 0.00 0.00 177.43 178.85 1s7u n ALA 177 N -2.54 2.28 0.00 1.57 0.00 -1.26 -3.11 120.51 117.46 1s7u n ALA 177 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1s7u n ALA 177 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1s7u n ALA 177 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1s7u n THR 178 N -0.34 0.00 -2.23 0.00 -1.04 -1.19 -4.88 114.28 104.60 1s7u n THR 178 Ca 0.00 -0.03 0.04 0.00 -2.04 0.00 0.00 64.05 62.02 1s7u n THR 178 Cb 0.06 0.33 0.06 0.00 -1.82 0.00 0.00 70.33 68.96 1s7u n THR 178 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s7u n LEU 179 N -0.52 1.33 0.00 -4.42 -0.00 -1.22 -4.73 117.00 107.44 1s7u n LEU 179 Ca 0.00 -2.37 0.10 0.00 -0.00 0.00 0.00 56.01 53.74 1s7u n LEU 179 Cb 0.00 -0.13 -0.08 0.00 -0.00 0.00 0.00 43.42 43.21 1s7u n LEU 179 CO 0.00 0.69 -0.08 -0.11 -0.00 0.00 0.00 177.39 177.89 1s7u n LEU 180 N 0.07 0.81 -4.91 1.47 7.94 -1.18 -5.01 117.00 116.18 1s7u n LEU 180 Ca 0.09 -0.36 -0.21 0.00 -1.11 0.00 0.00 56.01 54.42 1s7u n LEU 180 Cb 1.01 -0.03 -0.03 0.00 0.53 0.00 0.00 43.42 44.90 1s7u n LEU 180 CO -0.04 0.19 -0.06 0.00 -1.11 0.00 0.00 177.39 176.38 1s7u s ARG 181 N -3.07 3.08 0.12 1.96 1.70 -1.26 -5.13 118.95 116.35 1s7u s ARG 181 Ca 0.06 -1.01 0.07 0.00 -0.47 0.00 0.00 55.73 54.38 1s7u s ARG 181 Cb 0.16 -2.70 -0.04 0.00 -0.57 0.00 0.00 34.95 31.80 1s7u s ARG 181 CO 0.85 0.27 -0.16 0.95 -1.08 0.00 0.00 175.30 176.14 1s7u s THR 182 N -2.13 1.43 -0.18 4.99 -4.23 -1.26 -4.84 115.64 109.42 1s7u s THR 182 Ca 0.38 -1.66 -0.05 0.00 -1.18 0.00 0.00 61.69 59.17 1s7u s THR 182 Cb -0.08 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 1s7u s THR 182 CO 0.28 -0.32 0.01 -1.81 -0.54 0.00 0.00 174.62 172.24 1s7u s ASP 183 N -2.30 5.02 0.31 3.99 1.01 -0.47 -4.93 116.67 119.30 1s7u s ASP 183 Ca 0.08 -0.11 -0.27 0.00 0.71 0.00 0.00 52.55 52.96 1s7u s ASP 183 Cb -0.07 -1.85 -0.10 0.00 1.01 0.00 0.00 42.92 41.92 1s7u s ASP 183 CO 0.04 0.12 0.97 -0.44 0.21 0.00 0.00 175.17 176.07 1s7u s SER 184 N 0.67 7.31 0.27 0.27 0.01 -1.26 -1.21 113.70 119.76 1s7u s SER 184 Ca 0.00 1.92 -0.29 0.00 1.31 0.00 0.00 55.95 58.89 1s7u s SER 184 Cb -0.14 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.40 1s7u s SER 184 CO 0.02 -0.09 1.28 -2.16 0.41 0.00 0.00 173.24 172.71 1s7u s PRO 185 N -1.90 4.41 -0.25 12.44 0.04 -1.26 -4.35 135.00 144.12 1s7u s PRO 185 Ca 0.49 2.10 -0.08 0.00 0.04 0.00 0.00 61.00 63.55 1s7u s PRO 185 Cb -0.22 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1s7u s PRO 185 CO 0.27 -0.16 0.09 0.15 0.04 0.00 0.00 177.00 177.39 1s7u s LYS 186 N -1.05 3.76 0.03 4.56 1.02 -0.54 -4.90 119.74 122.62 1s7u s LYS 186 Ca 0.52 -0.43 0.07 0.00 0.02 0.00 0.00 55.97 56.15 1s7u s LYS 186 Cb -0.37 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 1s7u s LYS 186 CO 0.45 -0.12 -0.20 0.00 -0.92 0.00 0.00 175.35 174.56 1s7u s ALA 187 N 1.46 2.50 0.24 5.17 0.00 -1.26 -2.15 121.76 127.73 1s7u s ALA 187 Ca 0.06 -1.19 -0.07 0.00 0.00 0.00 0.00 51.96 50.76 1s7u s ALA 187 Cb -0.15 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1s7u s ALA 187 CO 0.05 0.56 0.33 -3.38 0.00 0.00 0.00 175.76 173.32 1s7u s HIS 188 N -0.87 0.79 -0.04 0.00 -3.43 -1.12 -5.00 115.29 105.62 1s7u s HIS 188 Ca 0.13 -1.07 0.05 0.00 -0.80 0.00 0.00 55.06 53.38 1s7u s HIS 188 Cb -0.10 -0.17 -0.01 0.00 -1.43 0.00 0.00 32.58 30.87 1s7u s HIS 188 CO 0.04 -0.86 -0.20 0.08 -2.00 0.00 0.00 174.74 171.81 1s7u s VAL 189 N -3.98 1.61 0.09 -5.38 1.01 -1.26 -0.78 120.40 111.71 1s7u s VAL 189 Ca 0.30 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1s7u s VAL 189 Cb 0.03 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1s7u s VAL 189 CO 0.12 0.46 -0.14 0.42 0.00 0.00 0.00 175.10 175.95 1s7u s THR 190 N -0.10 3.09 -0.18 3.92 -4.23 -0.91 -4.84 115.64 112.38 1s7u s THR 190 Ca -0.02 -1.32 -0.07 0.00 -1.18 0.00 0.00 61.69 59.10 1s7u s THR 190 Cb -0.11 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1s7u s THR 190 CO 0.02 0.16 0.06 -2.28 -0.54 0.00 0.00 174.62 172.04 1s7u s HIS 191 N -1.13 3.25 -0.27 3.99 2.46 -1.26 -2.52 115.29 119.81 1s7u s HIS 191 Ca 0.19 0.06 -0.03 0.00 0.47 0.00 0.00 55.06 55.75 1s7u s HIS 191 Cb -0.11 -2.08 0.11 0.00 -0.13 0.00 0.00 32.58 30.37 1s7u s HIS 191 CO 0.11 0.14 0.20 -1.01 -2.47 0.00 0.00 174.74 171.71 1s7u s HIS 192 N 0.40 -0.07 0.37 3.88 3.76 -0.88 -5.04 115.29 117.71 1s7u s HIS 192 Ca 0.03 -0.40 -0.25 0.00 -0.15 0.00 0.00 55.06 54.29 1s7u s HIS 192 Cb -0.12 -0.64 -0.09 0.00 1.11 0.00 0.00 32.58 32.83 1s7u s HIS 192 CO 0.00 -0.80 1.02 -1.25 -0.85 0.00 0.00 174.74 172.86 1s7u s PRO 193 N 2.23 4.31 0.00 8.40 0.04 -1.26 -0.46 135.00 148.26 1s7u s PRO 193 Ca 0.08 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1s7u s PRO 193 Cb -0.15 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1s7u s PRO 193 CO -0.29 -0.00 0.00 2.89 0.04 0.00 0.00 177.00 179.63 1s7u n ARG 194 N 0.14 0.00 -3.25 4.56 1.85 -1.10 -4.91 116.66 113.95 1s7u n ARG 194 Ca 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.86 1s7u n ARG 194 Cb 0.50 -0.34 -0.04 0.00 -1.05 0.00 0.00 32.46 31.52 1s7u n ARG 194 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1s7u s SER 195 N -4.89 -0.49 0.00 2.89 1.04 -1.23 -5.08 113.70 105.93 1s7u s SER 195 Ca 0.00 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1s7u s SER 195 Cb 0.00 1.56 0.00 0.00 0.10 0.00 0.00 66.02 67.68 1s7u s SER 195 CO 0.00 -0.30 0.00 0.29 0.98 0.00 0.00 173.24 174.21 1s7u n LYS 196 N 5.39 -0.40 -2.75 4.02 5.02 -1.26 -3.48 118.16 124.70 1s7u n LYS 196 Ca -0.01 0.38 -0.14 0.00 -2.02 0.00 0.00 58.31 56.52 1s7u n LYS 196 Cb 0.51 -0.29 0.02 0.00 -0.02 0.00 0.00 35.03 35.26 1s7u n LYS 196 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s7u n GLY 197 N 1.60 -0.05 3.14 0.72 0.00 -1.26 -5.01 105.19 104.34 1s7u n GLY 197 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.84 1s7u n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s7u s GLU 198 N -5.27 0.56 -0.07 1.61 2.02 -1.23 -3.03 118.70 113.30 1s7u s GLU 198 Ca 0.20 0.95 0.02 0.00 0.02 0.00 0.00 54.97 56.16 1s7u s GLU 198 Cb -0.09 0.50 -0.03 0.00 0.10 0.00 0.00 34.13 34.62 1s7u s GLU 198 CO 0.24 -0.67 -0.12 0.14 0.02 0.00 0.00 175.26 174.87 1s7u s VAL 199 N 2.85 3.23 -0.04 2.63 -7.23 -0.65 -2.70 120.40 118.48 1s7u s VAL 199 Ca 0.20 -0.65 -0.28 0.00 -1.81 0.00 0.00 61.98 59.44 1s7u s VAL 199 Cb -0.14 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1s7u s VAL 199 CO -0.21 0.58 0.91 -0.89 -0.31 0.00 0.00 175.10 175.18 1s7u s THR 200 N -0.59 4.90 -0.16 5.32 2.01 0.39 -2.31 115.64 125.20 1s7u s THR 200 Ca 0.09 1.89 -0.07 0.00 0.31 0.00 0.00 61.69 63.91 1s7u s THR 200 Cb -0.11 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1s7u s THR 200 CO 0.01 0.15 0.07 -0.76 -0.69 0.00 0.00 174.62 173.40 1s7u s LEU 201 N 1.20 3.93 -0.24 4.42 1.43 -1.00 -2.08 118.68 126.35 1s7u s LEU 201 Ca 0.47 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.77 1s7u s LEU 201 Cb -0.20 -1.97 0.06 0.00 0.03 0.00 0.00 46.19 44.11 1s7u s LEU 201 CO 0.23 0.25 -0.06 -0.60 0.23 0.00 0.00 176.35 176.40 1s7u s ARG 202 N -0.11 1.70 -0.43 1.70 3.52 -1.05 -2.10 118.95 122.17 1s7u s ARG 202 Ca 0.08 -1.02 -0.25 0.00 -0.13 0.00 0.00 55.73 54.40 1s7u s ARG 202 Cb -0.12 -2.61 0.02 0.00 -1.56 0.00 0.00 34.95 30.68 1s7u s ARG 202 CO 0.01 -0.59 0.92 0.00 -0.81 0.00 0.00 175.30 174.83 1s7u s TRP 204 N 3.66 3.57 -0.09 0.00 0.52 0.04 -1.97 118.94 124.67 1s7u s TRP 204 Ca 0.37 0.90 0.01 0.00 0.02 0.00 0.00 56.10 57.40 1s7u s TRP 204 Cb -0.11 -2.25 0.02 0.00 -1.15 0.00 0.00 33.47 29.98 1s7u s TRP 204 CO 0.24 0.45 -0.11 0.00 0.02 0.00 0.00 176.95 177.55 1s7u s ALA 205 N -1.48 1.36 0.06 0.98 0.00 0.80 -2.79 121.76 120.68 1s7u s ALA 205 Ca 0.37 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1s7u s ALA 205 Cb -0.14 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1s7u s ALA 205 CO 0.19 -0.12 -0.08 -0.51 0.00 0.00 0.00 175.76 175.25 1s7u s LEU 206 N 1.10 2.32 -0.56 0.00 1.43 -0.91 -1.59 118.68 120.47 1s7u s LEU 206 Ca -0.06 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1s7u s LEU 206 Cb -0.14 -0.17 0.00 0.00 0.03 0.00 0.00 46.19 45.91 1s7u s LEU 206 CO -0.02 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1s7u n GLY 207 N 1.07 0.77 3.91 -3.19 0.00 -1.05 -1.47 105.19 105.22 1s7u n GLY 207 Ca -0.20 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 1s7u n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s7u s PHE 208 N -2.09 3.47 -0.18 1.61 -0.12 -1.22 -4.49 117.98 114.96 1s7u s PHE 208 Ca 0.00 0.54 -0.17 0.00 -0.05 0.00 0.00 56.93 57.26 1s7u s PHE 208 Cb 0.00 -2.01 0.05 0.00 -0.63 0.00 0.00 43.02 40.43 1s7u s PHE 208 CO 0.00 0.35 0.48 -0.47 -0.05 0.00 0.00 175.22 175.53 1s7u s TYR 209 N -1.82 -0.54 0.72 3.49 5.04 -0.35 -1.46 117.35 122.42 1s7u s TYR 209 Ca 0.41 1.31 -0.12 0.00 -2.44 0.00 0.00 57.07 56.24 1s7u s TYR 209 Cb -0.11 0.19 0.18 0.00 0.35 0.00 0.00 41.96 42.57 1s7u s TYR 209 CO 0.27 -0.26 0.63 -2.30 -1.34 0.00 0.00 175.55 172.54 1s7u n PRO 210 N 2.90 -2.28 0.22 4.97 -0.02 -1.26 -1.37 135.00 138.15 1s7u n PRO 210 Ca -0.14 -1.01 0.09 0.00 -2.02 0.00 0.00 63.50 60.42 1s7u n PRO 210 Cb 0.57 -0.95 0.44 0.00 -0.02 0.00 0.00 33.50 33.53 1s7u n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s7u h ALA 211 N -2.44 1.02 -2.38 3.55 0.00 -1.96 -3.45 119.26 113.60 1s7u h ALA 211 Ca -0.24 -0.22 -0.54 0.00 0.00 0.00 0.00 54.91 53.91 1s7u h ALA 211 Cb 0.73 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1s7u h ALA 211 CO 0.16 0.31 1.00 -0.51 0.00 0.00 0.00 179.25 180.20 1s7u s ASP 212 N -6.23 6.66 0.10 0.00 1.01 -1.26 -4.96 116.67 111.99 1s7u s ASP 212 Ca 0.00 2.35 -0.22 0.00 0.71 0.00 0.00 52.55 55.40 1s7u s ASP 212 Cb 0.10 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.54 1s7u s ASP 212 CO 0.64 -0.87 0.53 -0.51 0.21 0.00 0.00 175.17 175.18 1s7u s ILE 213 N 3.04 0.03 -0.03 0.77 2.07 -1.26 -4.63 121.20 121.18 1s7u s ILE 213 Ca 0.72 -0.21 -0.00 0.00 -1.41 0.00 0.00 60.65 59.75 1s7u s ILE 213 Cb -0.36 -1.03 0.03 0.00 0.13 0.00 0.00 42.46 41.22 1s7u s ILE 213 CO 0.31 -0.11 0.03 -0.89 -1.91 0.00 0.00 174.94 172.36 1s7u s THR 214 N -3.20 0.04 -0.09 4.00 2.01 -0.86 -5.00 115.64 112.54 1s7u s THR 214 Ca -0.01 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1s7u s THR 214 Cb -0.00 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 1s7u s THR 214 CO -0.08 0.14 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.15 1s7u s LEU 215 N 1.39 3.07 0.01 4.42 1.02 -1.26 -0.63 118.68 126.70 1s7u s LEU 215 Ca -0.05 -0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.02 1s7u s LEU 215 Cb -0.13 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.39 1s7u s LEU 215 CO -0.03 0.30 -0.06 0.42 0.02 0.00 0.00 176.35 177.00 1s7u s THR 216 N -0.42 0.43 0.01 5.49 -4.23 -0.64 -4.98 115.64 111.30 1s7u s THR 216 Ca 0.06 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 1s7u s THR 216 Cb -0.12 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.26 1s7u s THR 216 CO 0.02 -0.07 0.02 0.26 -0.54 0.00 0.00 174.62 174.31 1s7u s TRP 217 N -0.58 3.12 0.03 3.99 0.52 -1.26 -0.96 118.94 123.81 1s7u s TRP 217 Ca -0.03 0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.23 1s7u s TRP 217 Cb -0.05 -1.68 -0.02 0.00 -1.15 0.00 0.00 33.47 30.58 1s7u s TRP 217 CO -0.00 0.49 -0.09 -0.65 0.02 0.00 0.00 176.95 176.71 1s7u s GLN 218 N -1.66 0.62 -0.44 4.98 -0.21 -0.65 -2.43 119.66 119.86 1s7u s GLN 218 Ca 0.21 -0.65 -0.09 0.00 0.02 0.00 0.00 55.36 54.85 1s7u s GLN 218 Cb -0.12 -0.51 0.10 0.00 1.00 0.00 0.00 33.01 33.48 1s7u s GLN 218 CO 0.12 0.12 0.30 -1.17 -2.12 0.00 0.00 175.29 172.53 1s7u s LEU 219 N -1.16 5.41 0.00 2.90 2.96 -1.09 -2.50 118.68 125.20 1s7u s LEU 219 Ca -0.04 -1.69 0.00 0.00 -0.22 0.00 0.00 54.13 52.18 1s7u s LEU 219 Cb -0.08 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.61 1s7u s LEU 219 CO 0.01 -0.61 0.00 -0.46 -1.32 0.00 0.00 176.35 173.97 1s7u n ASN 220 N 4.92 0.00 0.00 3.68 0.23 -1.18 -3.39 115.26 119.52 1s7u n ASN 220 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 1s7u n ASN 220 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 1s7u n ASN 220 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s7u n GLY 221 N -0.25 -0.74 3.86 4.83 0.00 -1.26 -5.15 105.19 106.47 1s7u n GLY 221 Ca 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 1s7u n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s7u s GLU 222 N 0.00 2.76 0.91 1.61 1.03 -1.22 -5.05 118.70 118.74 1s7u s GLU 222 Ca 0.00 -1.26 -0.15 0.00 0.03 0.00 0.00 54.97 53.59 1s7u s GLU 222 Cb 0.00 -2.50 0.22 0.00 -0.80 0.00 0.00 34.13 31.05 1s7u s GLU 222 CO 0.00 0.12 0.95 0.39 -1.33 0.00 0.00 175.26 175.39 1s7u n GLU 223 N -1.37 -2.09 -3.50 -4.83 1.02 -1.26 -2.65 120.64 105.96 1s7u n GLU 223 Ca -0.02 -1.49 -0.27 0.00 -0.02 0.00 0.00 57.16 55.35 1s7u n GLU 223 Cb 0.59 -1.23 -0.14 0.00 -0.02 0.00 0.00 31.44 30.65 1s7u n GLU 223 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s7u s LEU 224 N 0.00 0.53 0.30 -4.62 1.02 -1.02 -4.76 118.68 110.13 1s7u s LEU 224 Ca 0.58 -1.44 0.20 0.00 0.02 0.00 0.00 54.13 53.49 1s7u s LEU 224 Cb -0.04 -0.23 0.14 0.00 0.02 0.00 0.00 46.19 46.07 1s7u s LEU 224 CO 0.43 -0.40 1.34 0.74 0.02 0.00 0.00 176.35 178.49 1s7u h THR 225 N 6.04 0.28 -0.12 5.49 2.02 -1.97 -3.39 112.91 121.27 1s7u h THR 225 Ca -0.13 -1.42 -0.19 0.00 0.77 0.00 0.00 66.41 65.44 1s7u h THR 225 Cb 1.01 1.99 -0.06 0.00 -1.74 0.00 0.00 68.15 69.35 1s7u h THR 225 CO 0.38 0.16 1.17 1.67 0.37 0.00 0.00 175.52 179.27 1s7u n GLN 226 N -3.01 0.19 -3.64 6.66 0.00 -1.26 -3.09 117.38 113.23 1s7u n GLN 226 Ca 0.01 -0.37 -0.23 0.00 -0.00 0.00 0.00 57.00 56.40 1s7u n GLN 226 Cb 0.62 -2.05 0.01 0.00 0.00 0.00 0.00 30.24 28.81 1s7u n GLN 226 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1s7u n ASP 227 N 10.60 -2.91 -4.59 1.69 9.92 -1.26 -4.91 116.55 125.09 1s7u n ASP 227 Ca 0.54 -0.75 -0.42 0.00 -0.53 0.00 0.00 54.79 53.63 1s7u n ASP 227 Cb 0.28 -1.04 -0.05 0.00 -0.64 0.00 0.00 41.12 39.68 1s7u n ASP 227 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1s7u s MET 228 N -5.19 3.79 0.42 -1.24 1.75 -1.18 -4.54 119.30 113.10 1s7u s MET 228 Ca 0.15 0.35 -0.18 0.00 -1.25 0.00 0.00 55.69 54.76 1s7u s MET 228 Cb -0.08 -3.80 -0.09 0.00 2.84 0.00 0.00 34.83 33.70 1s7u s MET 228 CO 0.61 -0.82 0.88 -1.21 -0.65 0.00 0.00 175.02 173.84 1s7u s GLU 229 N 3.06 4.07 0.34 4.11 0.41 0.13 -4.92 118.70 125.91 1s7u s GLU 229 Ca 0.31 0.91 -0.17 0.00 -0.41 0.00 0.00 54.97 55.61 1s7u s GLU 229 Cb -0.13 -2.26 0.06 0.00 -1.78 0.00 0.00 34.13 30.02 1s7u s GLU 229 CO 0.16 -0.03 0.84 -0.48 -0.49 0.00 0.00 175.26 175.26 1s7u s LEU 230 N -3.36 -0.01 0.13 1.80 0.05 -1.26 -0.30 118.68 115.72 1s7u s LEU 230 Ca 0.58 -1.03 0.06 0.00 0.05 0.00 0.00 54.13 53.80 1s7u s LEU 230 Cb -0.10 2.68 -0.04 0.00 -2.05 0.00 0.00 46.19 46.69 1s7u s LEU 230 CO 0.19 -1.53 -0.14 0.68 -0.55 0.00 0.00 176.35 175.00 1s7u s VAL 231 N -2.34 1.34 0.27 1.48 -7.23 -1.10 -5.01 120.40 107.81 1s7u s VAL 231 Ca 0.17 -1.75 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 1s7u s VAL 231 Cb -0.05 -1.56 -0.14 0.00 0.56 0.00 0.00 36.38 35.19 1s7u s VAL 231 CO 0.10 -0.43 1.03 -0.62 -0.31 0.00 0.00 175.10 174.87 1s7u n GLU 232 N 0.48 1.34 -1.74 4.82 1.02 -1.26 -4.65 120.64 120.64 1s7u n GLU 232 Ca -0.15 0.47 -0.42 0.00 -0.02 0.00 0.00 57.16 57.04 1s7u n GLU 232 Cb 0.57 -1.86 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1s7u n GLU 232 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1s7u s THR 233 N -0.94 2.01 0.03 2.62 2.01 -1.26 -4.84 115.64 115.28 1s7u s THR 233 Ca 0.60 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.66 1s7u s THR 233 Cb -0.72 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1s7u s THR 233 CO 0.59 0.00 -0.13 0.00 -0.69 0.00 0.00 174.62 174.39 1s7u s ARG 234 N 0.15 0.91 0.14 4.92 1.70 -0.75 -4.96 118.95 121.08 1s7u s ARG 234 Ca 0.68 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 1s7u s ARG 234 Cb -0.49 -0.90 -0.07 0.00 -0.57 0.00 0.00 34.95 32.92 1s7u s ARG 234 CO 0.42 0.23 1.16 -1.25 -1.08 0.00 0.00 175.30 174.78 1s7u s PRO 235 N -0.98 4.51 0.34 3.89 0.04 -1.26 -0.62 135.00 140.92 1s7u s PRO 235 Ca 0.02 1.79 0.13 0.00 0.04 0.00 0.00 61.00 62.97 1s7u s PRO 235 Cb -0.07 -3.29 0.61 0.00 0.04 0.00 0.00 34.50 31.79 1s7u s PRO 235 CO 0.01 -0.09 1.75 0.00 0.04 0.00 0.00 177.00 178.71 1s7u h ALA 236 N 5.71 1.21 0.00 8.56 0.00 -1.48 -3.47 119.26 129.79 1s7u h ALA 236 Ca -0.43 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1s7u h ALA 236 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1s7u h ALA 236 CO 0.76 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.98 1s7u n GLY 237 N -0.16 0.50 0.98 0.00 0.00 -1.26 -4.92 105.19 100.33 1s7u n GLY 237 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1s7u n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s7u n ASP 238 N 0.00 3.59 0.00 1.61 5.75 -1.26 -4.94 116.55 121.30 1s7u n ASP 238 Ca 0.00 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 1s7u n ASP 238 Cb 0.00 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 1s7u n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s7u n GLY 239 N 0.69 1.94 4.01 6.12 0.00 -1.26 -5.07 105.19 111.62 1s7u n GLY 239 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1s7u n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s7u s THR 240 N -2.49 2.32 0.33 2.61 -4.23 -1.26 -4.87 115.64 108.04 1s7u s THR 240 Ca 0.00 -0.86 0.03 0.00 -1.18 0.00 0.00 61.69 59.68 1s7u s THR 240 Cb 0.00 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.33 1s7u s THR 240 CO 0.00 0.00 0.08 -0.36 -0.54 0.00 0.00 174.62 173.80 1s7u s PHE 241 N -2.76 1.84 0.04 3.99 0.08 -0.54 -1.24 117.98 119.40 1s7u s PHE 241 Ca 0.62 -1.08 -0.01 0.00 0.12 0.00 0.00 56.93 56.58 1s7u s PHE 241 Cb -0.07 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 1s7u s PHE 241 CO 0.39 -0.13 -0.01 -0.65 -0.10 0.00 0.00 175.22 174.73 1s7u s GLN 242 N -3.88 0.50 -0.15 0.44 -0.21 0.21 -2.54 119.66 114.03 1s7u s GLN 242 Ca 0.34 -0.92 -0.29 0.00 0.02 0.00 0.00 55.36 54.51 1s7u s GLN 242 Cb 0.07 0.18 0.09 0.00 1.00 0.00 0.00 33.01 34.35 1s7u s GLN 242 CO 0.15 -0.10 0.82 0.21 -2.12 0.00 0.00 175.29 174.25 1s7u s LYS 243 N -2.81 0.82 0.11 2.91 2.20 -0.62 -1.80 119.74 120.54 1s7u s LYS 243 Ca -0.03 0.41 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 1s7u s LYS 243 Cb -0.00 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 1s7u s LYS 243 CO -0.06 -0.21 -0.08 1.67 -0.36 0.00 0.00 175.35 176.31 1s7u s TRP 244 N -0.69 0.99 -0.02 4.03 1.48 -1.26 -0.14 118.94 123.32 1s7u s TRP 244 Ca -0.05 -0.86 -0.00 0.00 -1.06 0.00 0.00 56.10 54.13 1s7u s TRP 244 Cb -0.02 -0.55 0.03 0.00 -1.16 0.00 0.00 33.47 31.77 1s7u s TRP 244 CO 0.04 -0.09 0.04 0.00 -4.06 0.00 0.00 176.95 172.88 1s7u s ALA 245 N -3.48 0.04 0.18 2.67 0.00 -0.83 -2.73 121.76 117.60 1s7u s ALA 245 Ca 0.13 0.30 0.10 0.00 0.00 0.00 0.00 51.96 52.48 1s7u s ALA 245 Cb 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1s7u s ALA 245 CO -0.03 -0.10 -0.20 -1.54 0.00 0.00 0.00 175.76 173.89 1s7u s SER 246 N 0.92 2.96 0.01 0.00 1.04 0.59 -0.70 113.70 118.52 1s7u s SER 246 Ca -0.08 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1s7u s SER 246 Cb -0.11 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 1s7u s SER 246 CO -0.03 0.02 -0.02 0.68 0.98 0.00 0.00 173.24 174.87 1s7u s VAL 247 N -1.92 0.11 0.28 5.02 -7.23 -0.89 -0.69 120.40 115.07 1s7u s VAL 247 Ca 0.18 -0.38 -0.29 0.00 -1.81 0.00 0.00 61.98 59.67 1s7u s VAL 247 Cb -0.07 -0.16 -0.09 0.00 0.56 0.00 0.00 36.38 36.62 1s7u s VAL 247 CO 0.08 -0.18 1.06 0.68 -0.31 0.00 0.00 175.10 176.43 1s7u s VAL 248 N -0.57 3.63 -0.13 1.32 -7.23 -1.26 -2.38 120.40 113.77 1s7u s VAL 248 Ca -0.06 1.62 -0.13 0.00 -1.81 0.00 0.00 61.98 61.61 1s7u s VAL 248 Cb -0.04 -4.02 0.03 0.00 0.56 0.00 0.00 36.38 32.91 1s7u s VAL 248 CO -0.00 0.37 0.36 -0.69 -0.31 0.00 0.00 175.10 174.82 1s7u s VAL 249 N -1.20 0.00 0.36 1.32 1.01 -0.98 -4.99 120.40 115.93 1s7u s VAL 249 Ca 0.44 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 1s7u s VAL 249 Cb -0.30 -0.51 -0.11 0.00 0.00 0.00 0.00 36.38 35.46 1s7u s VAL 249 CO 0.38 -0.01 1.51 -2.84 0.00 0.00 0.00 175.10 174.14 1s7u s PRO 250 N 0.11 4.11 0.08 2.72 0.02 -1.26 -1.64 135.00 139.15 1s7u s PRO 250 Ca -0.01 2.57 -0.31 0.00 0.02 0.00 0.00 61.00 63.28 1s7u s PRO 250 Cb -0.03 -2.98 -0.06 0.00 0.02 0.00 0.00 34.50 31.45 1s7u s PRO 250 CO 0.01 -0.55 1.21 -1.17 -0.33 0.00 0.00 177.00 176.17 1s7u s LEU 251 N -1.78 4.38 0.00 -5.54 0.20 -1.17 -2.68 118.68 112.10 1s7u s LEU 251 Ca 0.55 2.07 0.00 0.00 0.69 0.00 0.00 54.13 57.44 1s7u s LEU 251 Cb -0.47 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 41.71 1s7u s LEU 251 CO 0.60 -0.47 0.00 0.61 -0.29 0.00 0.00 176.35 176.80 1s7u n GLY 252 N 3.10 2.79 2.75 7.98 0.00 -1.26 -4.90 105.19 115.65 1s7u n GLY 252 Ca 0.08 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1s7u n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s7u n LYS 253 N 0.00 3.86 -0.00 1.61 4.76 -1.09 -4.65 118.16 122.64 1s7u n LYS 253 Ca 0.00 -4.47 0.09 0.00 -2.87 0.00 0.00 58.31 51.06 1s7u n LYS 253 Cb 0.00 -2.32 -0.12 0.00 -1.84 0.00 0.00 35.03 30.75 1s7u n LYS 253 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1s7u n GLU 254 N -0.29 0.78 0.00 1.97 0.00 -1.25 -4.24 120.64 117.60 1s7u n GLU 254 Ca 0.42 -0.07 0.15 0.00 0.00 0.00 0.00 57.16 57.66 1s7u n GLU 254 Cb 0.37 -1.40 0.71 0.00 0.00 0.00 0.00 31.44 31.12 1s7u n GLU 254 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1s7u n GLN 255 N -1.72 0.92 0.18 3.44 1.13 -1.26 -3.07 117.38 116.99 1s7u n GLN 255 Ca 0.01 -0.26 0.13 0.00 -1.94 0.00 0.00 57.00 54.94 1s7u n GLN 255 Cb 0.37 -1.49 0.43 0.00 0.11 0.00 0.00 30.24 29.65 1s7u n GLN 255 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1s7u h ASN 256 N 0.64 0.00 -2.97 1.08 4.21 -1.94 -3.46 115.58 113.15 1s7u h ASN 256 Ca 0.00 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.85 1s7u h ASN 256 Cb 0.27 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 37.36 1s7u h ASN 256 CO 0.00 0.00 -0.54 -0.31 -1.29 0.00 0.00 177.43 175.29 1s7u s TYR 257 N -3.31 3.41 -0.07 1.19 1.51 -1.18 -3.10 117.35 115.81 1s7u s TYR 257 Ca 0.06 0.36 0.00 0.00 -1.01 0.00 0.00 57.07 56.48 1s7u s TYR 257 Cb 0.09 -1.92 0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1s7u s TYR 257 CO 0.56 0.56 -0.05 0.95 -1.11 0.00 0.00 175.55 176.46 1s7u s THR 258 N -0.74 0.69 0.12 -0.71 -4.23 -1.04 -4.68 115.64 105.06 1s7u s THR 258 Ca 0.13 -0.14 -0.23 0.00 -1.18 0.00 0.00 61.69 60.27 1s7u s THR 258 Cb -0.12 -0.74 -0.07 0.00 1.34 0.00 0.00 72.50 72.91 1s7u s THR 258 CO 0.03 0.29 0.68 0.00 -0.54 0.00 0.00 174.62 175.07 1s7u s ARG 260 N -1.10 2.33 -0.14 0.00 0.52 -0.13 -0.89 118.95 119.54 1s7u s ARG 260 Ca 0.33 -0.63 -0.03 0.00 -0.52 0.00 0.00 55.73 54.88 1s7u s ARG 260 Cb -0.21 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 1s7u s ARG 260 CO 0.23 0.08 -0.03 0.08 0.02 0.00 0.00 175.30 175.68 1s7u s VAL 261 N 0.56 3.96 -0.15 3.52 1.01 -0.53 -1.62 120.40 127.15 1s7u s VAL 261 Ca -0.16 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1s7u s VAL 261 Cb -0.17 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1s7u s VAL 261 CO 0.05 0.52 -0.21 -0.31 0.00 0.00 0.00 175.10 175.15 1s7u s TYR 262 N 0.04 2.70 -0.08 5.22 1.51 0.19 -1.71 117.35 125.21 1s7u s TYR 262 Ca 0.01 -1.40 -0.27 0.00 -1.01 0.00 0.00 57.07 54.40 1s7u s TYR 262 Cb -0.13 -1.84 0.06 0.00 -0.11 0.00 0.00 41.96 39.94 1s7u s TYR 262 CO 0.03 -0.65 0.62 -1.58 -1.11 0.00 0.00 175.55 172.85 1s7u s HIS 263 N 0.91 -0.60 -0.94 2.71 2.46 -1.26 -2.03 115.29 116.55 1s7u s HIS 263 Ca -0.04 1.12 0.25 0.00 0.47 0.00 0.00 55.06 56.85 1s7u s HIS 263 Cb -0.15 0.33 1.03 0.00 -0.13 0.00 0.00 32.58 33.66 1s7u s HIS 263 CO -0.04 -0.52 1.79 -0.85 -2.47 0.00 0.00 174.74 172.65 1s7u n GLU 264 N 1.32 0.04 0.02 2.88 0.28 -1.26 -1.70 120.64 122.21 1s7u n GLU 264 Ca -0.18 0.11 0.11 0.00 -0.16 0.00 0.00 57.16 57.04 1s7u n GLU 264 Cb 0.57 -1.56 0.11 0.00 1.43 0.00 0.00 31.44 31.99 1s7u n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1s7u n GLY 265 N 1.06 -1.23 3.76 -1.84 0.00 -1.26 -4.92 105.19 100.77 1s7u n GLY 265 Ca 0.06 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1s7u n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s7u s LEU 266 N -3.49 4.47 0.31 0.99 1.02 -0.69 -4.76 118.68 116.52 1s7u s LEU 266 Ca 0.07 2.31 0.12 0.00 0.02 0.00 0.00 54.13 56.65 1s7u s LEU 266 Cb 0.16 -3.72 0.51 0.00 0.02 0.00 0.00 46.19 43.16 1s7u s LEU 266 CO 0.76 -0.27 1.70 1.55 0.02 0.00 0.00 176.35 180.10 1s7u h PRO 267 N 3.53 0.00 -2.85 1.29 0.13 -1.91 -3.46 132.00 128.73 1s7u h PRO 267 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1s7u h PRO 267 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1s7u h PRO 267 CO 0.66 0.52 0.12 -1.83 -0.23 0.00 0.00 178.00 177.23 1s7u s GLU 268 N -3.83 1.15 0.30 0.86 -1.05 -1.26 -5.15 118.70 109.72 1s7u s GLU 268 Ca -0.02 -0.34 -0.27 0.00 -0.15 0.00 0.00 54.97 54.19 1s7u s GLU 268 Cb 0.13 0.53 -0.14 0.00 -0.44 0.00 0.00 34.13 34.21 1s7u s GLU 268 CO 0.74 -0.46 0.98 -2.30 0.95 0.00 0.00 175.26 175.18 1s7u n PRO 269 N 0.04 1.29 -2.87 -4.83 -0.02 -1.26 -4.96 135.00 122.38 1s7u n PRO 269 Ca -0.17 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 1s7u n PRO 269 Cb 0.62 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.22 1s7u n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s7u s LEU 270 N 0.48 4.58 -0.06 2.45 1.43 -0.70 -4.90 118.68 121.95 1s7u s LEU 270 Ca 0.59 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 55.44 1s7u s LEU 270 Cb -0.69 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 1s7u s LEU 270 CO 0.60 0.12 -0.11 -0.89 0.23 0.00 0.00 176.35 176.30 1s7u s THR 271 N -0.82 3.31 0.01 5.49 2.01 -1.26 -1.45 115.64 122.93 1s7u s THR 271 Ca 0.39 -0.62 -0.17 0.00 0.31 0.00 0.00 61.69 61.60 1s7u s THR 271 Cb -0.24 -2.33 0.03 0.00 0.01 0.00 0.00 72.50 69.98 1s7u s THR 271 CO 0.28 0.59 0.36 -0.76 -0.69 0.00 0.00 174.62 174.40 1s7u s LEU 272 N -0.67 0.64 0.00 4.42 1.43 -0.07 -5.00 118.68 119.44 1s7u s LEU 272 Ca 0.10 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1s7u s LEU 272 Cb -0.11 1.50 0.03 0.00 0.03 0.00 0.00 46.19 47.64 1s7u s LEU 272 CO 0.01 -0.56 0.60 -2.11 0.23 0.00 0.00 176.35 174.52 1s7u n ARG 273 N 0.88 0.86 0.00 1.70 0.00 -1.26 -0.96 116.66 117.88 1s7u n ARG 273 Ca -0.20 -2.22 0.01 0.00 -0.00 0.00 0.00 57.85 55.44 1s7u n ARG 273 Cb 0.58 2.47 0.05 0.00 -0.00 0.00 0.00 32.46 35.55 1s7u n ARG 273 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50