#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m7n h GLU 9 N 0.00 -0.64 -3.87 -0.52 4.39 -2.04 -3.44 114.58 108.46 3m7n h GLU 9 Ca 0.00 0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.57 3m7n h GLU 9 Cb 0.00 0.15 -0.22 0.00 -0.10 0.00 0.00 28.75 28.57 3m7n h GLU 9 CO 0.00 -0.43 -0.67 0.15 -1.16 0.00 0.00 179.01 176.90 3m7n s LYS 10 N -6.02 0.28 -0.18 2.33 -0.14 -1.26 -5.05 119.74 109.69 3m7n s LYS 10 Ca -0.16 -0.47 0.10 0.00 -1.36 0.00 0.00 55.97 54.08 3m7n s LYS 10 Cb 0.06 0.10 -0.18 0.00 -1.68 0.00 0.00 37.83 36.13 3m7n s LYS 10 CO 0.64 -0.05 -0.02 1.28 -0.76 0.00 0.00 175.35 176.43 3m7n n LEU 11 N 1.84 0.98 -4.15 3.17 4.77 -1.26 -4.91 117.00 117.44 3m7n n LEU 11 Ca -0.22 -0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.40 3m7n n LEU 11 Cb 0.56 0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.52 3m7n n LEU 11 CO 0.21 0.56 -0.53 -0.63 -1.33 0.00 0.00 177.39 175.67 3m7n s ILE 12 N -2.41 2.12 -0.26 -0.08 1.01 -1.26 -3.26 121.20 117.05 3m7n s ILE 12 Ca -0.15 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.57 3m7n s ILE 12 Cb 0.06 -1.87 0.07 0.00 0.01 0.00 0.00 42.46 40.73 3m7n s ILE 12 CO 0.62 0.54 -0.02 0.68 0.00 0.00 0.00 174.94 176.76 3m7n s VAL 13 N 1.06 1.54 -0.67 2.92 -7.23 -0.56 -4.85 120.40 112.61 3m7n s VAL 13 Ca -0.01 -1.41 -0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3m7n s VAL 13 Cb -0.14 -1.91 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 3m7n s VAL 13 CO -0.07 -0.26 0.56 0.47 -0.31 0.00 0.00 175.10 175.48 3m7n n ASP 14 N 4.63 -2.33 0.00 4.85 8.00 -1.26 -2.84 116.55 127.61 3m7n n ASP 14 Ca -0.08 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.06 3m7n n ASP 14 Cb 0.43 -3.11 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 3m7n n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m7n n GLY 15 N -1.11 1.46 3.56 0.44 0.00 -1.26 -4.97 105.19 103.31 3m7n n GLY 15 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3m7n n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m7n s LEU 16 N 0.00 3.29 0.88 0.99 1.43 -1.13 -4.33 118.68 119.82 3m7n s LEU 16 Ca 0.00 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 3m7n s LEU 16 Cb 0.00 -1.76 0.13 0.00 0.03 0.00 0.00 46.19 44.59 3m7n s LEU 16 CO 0.00 0.27 1.22 -0.13 0.23 0.00 0.00 176.35 177.94 3m7n s ARG 17 N -0.27 1.32 0.48 1.70 0.52 -0.42 -1.50 118.95 120.78 3m7n s ARG 17 Ca 0.05 -0.05 0.20 0.00 -0.52 0.00 0.00 55.73 55.40 3m7n s ARG 17 Cb -0.13 -1.89 1.21 0.00 0.52 0.00 0.00 34.95 34.66 3m7n s ARG 17 CO 0.02 -2.01 1.97 -0.07 0.02 0.00 0.00 175.30 175.24 3m7n h LEU 18 N -1.35 0.20 -1.55 2.53 4.07 -1.88 -0.92 115.31 116.40 3m7n h LEU 18 Ca -0.46 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.51 3m7n h LEU 18 Cb 1.30 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.01 3m7n h LEU 18 CO 0.55 0.11 -0.08 -0.90 -1.08 0.00 0.00 178.44 177.05 3m7n n ASP 19 N -4.43 2.48 0.00 -0.43 5.75 -1.26 -4.94 116.55 113.72 3m7n n ASP 19 Ca 0.11 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 3m7n n ASP 19 Cb 0.51 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 3m7n n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m7n n GLY 20 N 1.32 0.67 3.88 6.12 0.00 -0.35 -5.09 105.19 111.75 3m7n n GLY 20 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3m7n n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m7n s ARG 21 N -0.57 2.98 0.45 1.61 0.52 -1.26 -4.63 118.95 118.06 3m7n s ARG 21 Ca 0.00 0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 55.64 3m7n s ARG 21 Cb 0.00 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 3m7n s ARG 21 CO 0.00 -0.93 0.73 0.15 0.02 0.00 0.00 175.30 175.27 3m7n s LYS 22 N -5.30 3.49 0.60 3.54 1.02 -1.26 -1.30 119.74 120.52 3m7n s LYS 22 Ca 0.57 0.05 0.28 0.00 0.02 0.00 0.00 55.97 56.90 3m7n s LYS 22 Cb -0.11 -2.44 1.36 0.00 -0.52 0.00 0.00 37.83 36.12 3m7n s LYS 22 CO 0.52 -0.15 1.76 0.27 -0.92 0.00 0.00 175.35 176.83 3m7n h PHE 23 N 0.33 0.00 -0.40 3.18 -0.00 -1.89 -1.74 116.94 116.42 3m7n h PHE 23 Ca -0.47 0.00 -0.30 0.00 -0.00 0.00 0.00 57.97 57.20 3m7n h PHE 23 Cb 1.21 0.00 -0.24 0.00 -0.00 0.00 0.00 35.95 36.92 3m7n h PHE 23 CO 0.56 0.00 -0.69 -0.40 -0.00 0.00 0.00 178.31 177.78 3m7n n ASP 24 N -3.56 3.38 -4.44 -0.68 5.75 -1.26 -0.93 116.55 114.81 3m7n n ASP 24 Ca 0.11 -3.76 -0.33 0.00 -0.01 0.00 0.00 54.79 50.81 3m7n n ASP 24 Cb 0.86 -0.43 -0.13 0.00 -1.03 0.00 0.00 41.12 40.39 3m7n n ASP 24 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3m7n s GLU 25 N -3.39 3.46 0.75 0.11 2.02 -0.66 -4.95 118.70 116.06 3m7n s GLU 25 Ca 0.45 -0.61 -0.12 0.00 0.02 0.00 0.00 54.97 54.71 3m7n s GLU 25 Cb 0.39 -2.75 0.05 0.00 0.10 0.00 0.00 34.13 31.92 3m7n s GLU 25 CO -0.01 0.26 1.12 -0.51 0.02 0.00 0.00 175.26 176.13 3m7n s LEU 26 N 0.27 3.15 0.78 1.80 1.43 -1.26 -4.74 118.68 120.11 3m7n s LEU 26 Ca -0.06 1.99 -0.12 0.00 -1.03 0.00 0.00 54.13 54.91 3m7n s LEU 26 Cb -0.15 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.59 3m7n s LEU 26 CO 0.04 -2.09 1.12 -0.13 0.23 0.00 0.00 176.35 175.52 3m7n s ARG 27 N -4.50 2.22 0.19 1.70 0.52 -1.26 -4.97 118.95 112.85 3m7n s ARG 27 Ca 0.65 0.42 -0.33 0.00 -0.52 0.00 0.00 55.73 55.95 3m7n s ARG 27 Cb -0.20 -1.95 -0.13 0.00 0.52 0.00 0.00 34.95 33.18 3m7n s ARG 27 CO 0.51 -1.47 1.57 -2.30 0.02 0.00 0.00 175.30 173.62 3m7n n PRO 28 N -3.29 2.24 -4.25 3.54 -0.02 -1.26 -4.61 135.00 127.34 3m7n n PRO 28 Ca 0.07 0.80 -0.28 0.00 -2.02 0.00 0.00 63.50 62.08 3m7n n PRO 28 Cb 0.58 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.40 3m7n n PRO 28 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3m7n s ILE 29 N 0.72 3.36 -0.10 4.25 1.01 -1.26 -1.45 121.20 127.73 3m7n s ILE 29 Ca 0.76 -1.47 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 3m7n s ILE 29 Cb -0.64 -2.64 0.05 0.00 0.01 0.00 0.00 42.46 39.24 3m7n s ILE 29 CO 0.40 -0.03 0.23 -0.54 0.00 0.00 0.00 174.94 174.99 3m7n s LYS 30 N -2.63 0.18 -0.04 2.79 1.02 -0.56 -4.94 119.74 115.56 3m7n s LYS 30 Ca 0.24 0.52 0.02 0.00 0.02 0.00 0.00 55.97 56.76 3m7n s LYS 30 Cb -0.10 -0.13 0.01 0.00 -0.52 0.00 0.00 37.83 37.10 3m7n s LYS 30 CO 0.15 -0.17 -0.06 0.42 -0.92 0.00 0.00 175.35 174.77 3m7n s ILE 31 N 1.34 0.61 -0.06 2.17 1.01 -1.26 -0.19 121.20 124.83 3m7n s ILE 31 Ca -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 3m7n s ILE 31 Cb -0.11 -0.60 0.04 0.00 0.01 0.00 0.00 42.46 41.80 3m7n s ILE 31 CO -0.08 0.22 0.10 -0.70 0.00 0.00 0.00 174.94 174.48 3m7n s GLU 32 N 0.61 -0.03 0.60 2.79 2.56 -0.37 -4.74 118.70 120.10 3m7n s GLU 32 Ca -0.09 0.44 -0.06 0.00 0.00 0.00 0.00 54.97 55.26 3m7n s GLU 32 Cb -0.12 -0.41 0.01 0.00 2.00 0.00 0.00 34.13 35.61 3m7n s GLU 32 CO 0.01 -0.31 0.91 0.00 -0.56 0.00 0.00 175.26 175.30 3m7n s ALA 33 N 2.15 3.28 -0.96 6.30 0.00 -1.26 -0.95 121.76 130.31 3m7n s ALA 33 Ca 0.03 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 3m7n s ALA 33 Cb -0.12 -2.62 -0.00 0.00 0.00 0.00 0.00 23.12 20.38 3m7n s ALA 33 CO -0.04 -0.83 0.71 0.43 0.00 0.00 0.00 175.76 176.03 3m7n n SER 34 N -2.61 -5.63 -0.64 0.00 7.64 -0.86 -4.92 113.62 106.60 3m7n n SER 34 Ca 0.05 -0.82 0.08 0.00 1.01 0.00 0.00 58.87 59.18 3m7n n SER 34 Cb 0.58 -3.13 0.07 0.00 -1.01 0.00 0.00 64.21 60.71 3m7n n SER 34 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3m7n n VAL 35 N -3.26 0.00 -4.60 0.44 0.24 -1.26 -4.95 118.33 104.95 3m7n n VAL 35 Ca -0.15 -0.49 -0.28 0.00 -2.04 0.00 0.00 64.34 61.38 3m7n n VAL 35 Cb 0.60 1.33 -0.17 0.00 -1.47 0.00 0.00 33.84 34.14 3m7n n VAL 35 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3m7n s LEU 36 N -1.38 1.74 0.04 1.34 1.43 -1.26 -5.03 118.68 115.57 3m7n s LEU 36 Ca 0.19 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 3m7n s LEU 36 Cb 0.14 -1.05 -0.14 0.00 0.03 0.00 0.00 46.19 45.17 3m7n s LEU 36 CO 0.21 0.04 1.43 0.50 0.23 0.00 0.00 176.35 178.76 3m7n h LYS 37 N 7.19 0.25 0.00 1.70 3.64 -2.00 -3.34 116.57 124.00 3m7n h LYS 37 Ca -0.29 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 58.94 3m7n h LYS 37 Cb 1.19 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3m7n h LYS 37 CO 0.48 0.54 -0.24 0.00 -2.27 0.00 0.00 179.45 177.96 3m7n h ARG 38 N -0.06 0.00 -7.33 1.90 2.47 -2.00 -3.46 114.38 105.90 3m7n h ARG 38 Ca 0.03 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 58.26 3m7n h ARG 38 Cb 0.45 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 28.84 3m7n h ARG 38 CO 0.01 0.24 0.34 0.00 0.56 0.00 0.00 179.97 181.12 3m7n s ALA 39 N -3.20 3.07 -0.10 0.04 0.00 -1.26 -4.98 121.76 115.34 3m7n s ALA 39 Ca 0.04 -0.39 0.17 0.00 0.00 0.00 0.00 51.96 51.78 3m7n s ALA 39 Cb 0.07 -2.90 0.24 0.00 0.00 0.00 0.00 23.12 20.52 3m7n s ALA 39 CO 0.69 -0.91 1.52 -0.44 0.00 0.00 0.00 175.76 176.62 3m7n h ASP 40 N -0.41 0.00 -5.00 0.00 3.32 -1.35 -3.46 116.42 109.52 3m7n h ASP 40 Ca -0.45 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 3m7n h ASP 40 Cb 1.24 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.60 3m7n h ASP 40 CO 0.63 0.45 0.06 -0.83 -1.72 0.00 0.00 179.24 177.82 3m7n s GLY 41 N -4.42 -0.46 0.18 2.75 0.00 -1.06 -4.05 107.32 100.26 3m7n s GLY 41 Ca 0.03 0.95 -0.16 0.00 0.00 0.00 0.00 44.72 45.54 3m7n s GLY 41 CO 0.72 0.63 0.46 -1.35 0.00 0.00 0.00 173.10 173.57 3m7n s SER 42 N -1.41 -0.20 -0.21 1.64 1.04 -1.26 -0.83 113.70 112.48 3m7n s SER 42 Ca -0.10 -0.53 -0.18 0.00 0.48 0.00 0.00 55.95 55.62 3m7n s SER 42 Cb -0.01 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.70 3m7n s SER 42 CO 0.06 -1.00 0.54 0.00 0.98 0.00 0.00 173.24 173.83 3m7n s TYR 44 N 0.41 3.02 -0.10 0.00 5.04 -0.13 -0.99 117.35 124.60 3m7n s TYR 44 Ca -0.01 0.02 -0.06 0.00 -2.44 0.00 0.00 57.07 54.59 3m7n s TYR 44 Cb -0.04 -1.77 0.04 0.00 0.35 0.00 0.00 41.96 40.54 3m7n s TYR 44 CO -0.01 0.32 0.23 -1.17 -1.34 0.00 0.00 175.55 173.58 3m7n s LEU 45 N -0.65 0.62 -0.05 6.97 1.98 -0.00 -1.24 118.68 126.30 3m7n s LEU 45 Ca 0.10 0.48 0.01 0.00 -2.89 0.00 0.00 54.13 51.83 3m7n s LEU 45 Cb -0.12 0.70 -0.03 0.00 0.66 0.00 0.00 46.19 47.40 3m7n s LEU 45 CO 0.02 -0.14 -0.04 -1.61 -1.89 0.00 0.00 176.35 172.68 3m7n s GLU 46 N 0.98 2.76 -0.25 1.98 2.02 0.74 -1.31 118.70 125.63 3m7n s GLU 46 Ca -0.07 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.32 3m7n s GLU 46 Cb -0.08 -2.62 0.09 0.00 0.10 0.00 0.00 34.13 31.61 3m7n s GLU 46 CO -0.06 0.66 0.13 -1.64 0.02 0.00 0.00 175.26 174.37 3m7n s MET 47 N -1.05 0.16 4.75 1.61 -1.94 -0.48 -1.50 119.30 120.85 3m7n s MET 47 Ca 0.14 -0.32 0.00 0.00 -1.71 0.00 0.00 55.69 53.80 3m7n s MET 47 Cb -0.11 -1.34 0.00 0.00 2.01 0.00 0.00 34.83 35.39 3m7n s MET 47 CO 0.04 -0.89 0.00 0.41 -0.01 0.00 0.00 175.02 174.57 3m7n n GLY 48 N 5.27 2.09 0.00 -0.03 0.00 -0.53 -0.68 105.19 111.31 3m7n n GLY 48 Ca -0.06 -0.46 0.04 0.00 0.00 0.00 0.00 46.02 45.54 3m7n n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m7n n LYS 49 N 8.05 0.85 -2.42 1.61 5.02 -1.26 -4.76 118.16 125.26 3m7n n LYS 49 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3m7n n LYS 49 Cb 0.00 -1.14 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 3m7n n LYS 49 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3m7n s ASN 50 N -1.38 7.05 -0.16 4.39 0.01 0.15 -4.45 114.94 120.53 3m7n s ASN 50 Ca 0.11 1.93 -0.00 0.00 -0.71 0.00 0.00 52.86 54.19 3m7n s ASN 50 Cb 0.05 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.14 3m7n s ASN 50 CO 0.09 -0.55 -0.14 -0.54 -1.51 0.00 0.00 177.10 174.45 3m7n s LYS 51 N 1.74 3.23 0.00 -0.60 1.02 -0.30 -1.38 119.74 123.45 3m7n s LYS 51 Ca 0.58 -0.73 -0.03 0.00 0.02 0.00 0.00 55.97 55.80 3m7n s LYS 51 Cb -0.27 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 3m7n s LYS 51 CO 0.25 -0.02 0.06 0.08 -0.92 0.00 0.00 175.35 174.80 3m7n s VAL 52 N 0.91 0.07 -0.04 3.17 1.01 -0.42 0.14 120.40 125.24 3m7n s VAL 52 Ca -0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 3m7n s VAL 52 Cb -0.15 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 35.98 3m7n s VAL 52 CO -0.01 -0.32 0.10 -0.51 0.00 0.00 0.00 175.10 174.35 3m7n s ILE 53 N -1.03 -0.04 0.05 2.22 2.07 -0.81 -0.82 121.20 122.84 3m7n s ILE 53 Ca -0.11 0.14 0.08 0.00 -1.41 0.00 0.00 60.65 59.35 3m7n s ILE 53 Cb -0.07 -0.17 -0.03 0.00 0.13 0.00 0.00 42.46 42.32 3m7n s ILE 53 CO 0.00 0.06 -0.22 0.00 -1.91 0.00 0.00 174.94 172.87 3m7n s ALA 54 N 0.83 2.44 -0.01 1.50 0.00 -0.16 -1.36 121.76 125.00 3m7n s ALA 54 Ca -0.07 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.66 3m7n s ALA 54 Cb -0.09 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 3m7n s ALA 54 CO -0.04 0.55 -0.07 0.00 0.00 0.00 0.00 175.76 176.21 3m7n s ALA 55 N -0.89 0.66 -0.11 0.00 0.00 0.08 -1.56 121.76 119.94 3m7n s ALA 55 Ca 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.84 3m7n s ALA 55 Cb -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3m7n s ALA 55 CO 0.04 0.13 -0.20 0.08 0.00 0.00 0.00 175.76 175.81 3m7n s VAL 56 N 0.05 2.47 -0.08 0.00 1.01 -0.01 -0.87 120.40 122.97 3m7n s VAL 56 Ca -0.00 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3m7n s VAL 56 Cb -0.06 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 3m7n s VAL 56 CO -0.00 0.55 -0.22 -0.36 0.00 0.00 0.00 175.10 175.07 3m7n s PHE 57 N 0.31 2.31 0.00 5.22 0.40 0.01 -0.90 117.98 125.32 3m7n s PHE 57 Ca -0.15 -0.87 0.00 0.00 -0.60 0.00 0.00 56.93 55.31 3m7n s PHE 57 Cb -0.17 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 41.81 3m7n s PHE 57 CO 0.07 -0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.06 3m7n n GLY 58 N 3.44 2.05 3.70 4.36 0.00 -1.26 -0.31 105.19 117.17 3m7n n GLY 58 Ca -0.19 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.36 3m7n n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m7n s PRO 59 N -1.58 4.22 0.22 1.61 0.04 -1.26 -4.97 135.00 133.28 3m7n s PRO 59 Ca 0.00 2.30 0.06 0.00 0.04 0.00 0.00 61.00 63.40 3m7n s PRO 59 Cb 0.00 -3.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 3m7n s PRO 59 CO 0.00 -0.65 -0.08 -0.98 0.04 0.00 0.00 177.00 175.33 3m7n s ARG 60 N 1.94 1.35 0.25 4.56 1.70 0.07 -4.89 118.95 123.92 3m7n s ARG 60 Ca 0.71 -1.64 -0.30 0.00 -0.47 0.00 0.00 55.73 54.03 3m7n s ARG 60 Cb -0.41 -0.92 -0.09 0.00 -0.57 0.00 0.00 34.95 32.96 3m7n s ARG 60 CO 0.31 0.06 1.33 -1.21 -1.08 0.00 0.00 175.30 174.71 3m7n s GLU 61 N -3.74 4.36 0.07 3.89 0.41 -1.26 0.33 118.70 122.77 3m7n s GLU 61 Ca 0.25 2.14 -0.21 0.00 -0.41 0.00 0.00 54.97 56.74 3m7n s GLU 61 Cb 0.03 -3.14 -0.07 0.00 -1.78 0.00 0.00 34.13 29.17 3m7n s GLU 61 CO 0.08 -0.25 0.64 0.54 -0.49 0.00 0.00 175.26 175.77 3m7n s VAL 62 N -0.30 4.70 -0.06 2.63 0.11 -1.25 -4.74 120.40 121.49 3m7n s VAL 62 Ca 0.55 1.37 0.06 0.00 -2.93 0.00 0.00 61.98 61.03 3m7n s VAL 62 Cb -0.38 -3.98 -0.01 0.00 -1.53 0.00 0.00 36.38 30.48 3m7n s VAL 62 CO 0.43 0.50 -0.24 -1.00 -3.33 0.00 0.00 175.10 171.46 3m7n s HIS 63 N -0.80 2.39 0.00 1.54 3.76 -1.26 -4.27 115.29 116.65 3m7n s HIS 63 Ca 0.32 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 3m7n s HIS 63 Cb -0.20 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 31.92 3m7n s HIS 63 CO 0.21 -0.22 0.08 -2.30 -0.85 0.00 0.00 174.74 171.66 3m7n n PRO 64 N 2.98 0.00 0.00 8.40 -0.02 -1.26 -4.91 135.00 140.19 3m7n n PRO 64 Ca -0.18 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3m7n n PRO 64 Cb 0.52 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 3m7n n PRO 64 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3m7n n GLU 65 N -1.44 0.00 0.00 -0.52 2.13 -1.26 -4.87 120.64 114.68 3m7n n GLU 65 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 3m7n n GLU 65 Cb 0.00 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.83 3m7n n GLU 65 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 3m7n n HIS 66 N -0.11 0.00 0.43 4.31 1.44 -1.26 0.19 115.22 120.22 3m7n n HIS 66 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 3m7n n HIS 66 Cb 0.00 -0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 3m7n n HIS 66 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3m7n n LEU 67 N -1.00 0.63 -4.74 2.39 4.77 -1.26 -5.02 117.00 112.77 3m7n n LEU 67 Ca 0.03 -0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 55.02 3m7n n LEU 67 Cb 0.01 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3m7n n LEU 67 CO 0.02 0.14 1.26 -1.10 -1.33 0.00 0.00 177.39 176.38 3m7n s GLN 68 N -1.70 4.14 -0.18 3.23 -0.21 0.13 -4.93 119.66 120.14 3m7n s GLN 68 Ca 0.05 2.55 -0.01 0.00 0.02 0.00 0.00 55.36 57.97 3m7n s GLN 68 Cb 0.07 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 31.03 3m7n s GLN 68 CO 0.33 -0.64 -0.13 0.34 -2.12 0.00 0.00 175.29 173.08 3m7n s ASP 69 N 0.66 3.74 0.41 5.90 -1.08 -1.26 -5.01 116.67 120.03 3m7n s ASP 69 Ca 0.66 -0.48 0.18 0.00 -0.52 0.00 0.00 52.55 52.39 3m7n s ASP 69 Cb -0.47 -1.60 0.89 0.00 -1.46 0.00 0.00 42.92 40.28 3m7n s ASP 69 CO 0.43 0.04 1.86 1.55 0.52 0.00 0.00 175.17 179.57 3m7n h PRO 70 N 7.65 0.00 0.03 4.34 0.13 -1.95 0.56 132.00 142.76 3m7n h PRO 70 Ca -0.38 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.40 3m7n h PRO 70 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 3m7n h PRO 70 CO 0.60 0.31 -2.15 -1.13 -0.23 0.00 0.00 178.00 175.40 3m7n n SER 71 N -3.81 1.30 -0.85 1.44 3.41 -1.26 -4.56 113.62 109.29 3m7n n SER 71 Ca -0.01 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3m7n n SER 71 Cb 0.40 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3m7n n SER 71 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3m7n n LYS 72 N -3.15 0.59 -3.66 4.33 2.85 -1.25 -4.62 118.16 113.25 3m7n n LYS 72 Ca -0.32 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 56.73 3m7n n LYS 72 Cb 1.06 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.41 3m7n n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3m7n s ALA 73 N -2.00 3.98 0.06 0.58 0.00 0.11 -1.91 121.76 122.58 3m7n s ALA 73 Ca 0.00 -1.70 0.05 0.00 0.00 0.00 0.00 51.96 50.31 3m7n s ALA 73 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3m7n s ALA 73 CO 0.00 -0.08 -0.05 0.96 0.00 0.00 0.00 175.76 176.59 3m7n s ILE 74 N -2.34 3.71 -0.16 0.00 -4.36 -0.46 -4.90 121.20 112.69 3m7n s ILE 74 Ca 0.44 -0.99 -0.01 0.00 -0.26 0.00 0.00 60.65 59.83 3m7n s ILE 74 Cb -0.06 -2.71 -0.01 0.00 1.25 0.00 0.00 42.46 40.94 3m7n s ILE 74 CO 0.28 0.21 -0.12 -0.63 0.24 0.00 0.00 174.94 174.92 3m7n s ILE 75 N -1.17 2.96 0.03 8.37 -1.09 -1.26 -0.69 121.20 128.35 3m7n s ILE 75 Ca 0.21 -0.67 0.06 0.00 -2.23 0.00 0.00 60.65 58.02 3m7n s ILE 75 Cb -0.11 -2.27 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 3m7n s ILE 75 CO 0.13 0.50 -0.13 -0.13 -1.23 0.00 0.00 174.94 174.08 3m7n s ARG 76 N 0.75 2.25 -0.03 2.79 0.52 -0.72 -4.99 118.95 119.51 3m7n s ARG 76 Ca -0.05 -0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 54.25 3m7n s ARG 76 Cb -0.15 -2.31 0.02 0.00 0.52 0.00 0.00 34.95 33.03 3m7n s ARG 76 CO 0.01 0.56 0.08 -0.47 0.02 0.00 0.00 175.30 175.50 3m7n s TYR 77 N -0.98 -0.06 -0.20 -0.53 5.04 -1.26 -0.68 117.35 118.67 3m7n s TYR 77 Ca 0.16 0.24 -0.02 0.00 -2.44 0.00 0.00 57.07 55.01 3m7n s TYR 77 Cb -0.11 -0.09 0.06 0.00 0.35 0.00 0.00 41.96 42.17 3m7n s TYR 77 CO 0.07 -0.09 0.02 0.50 -1.34 0.00 0.00 175.55 174.71 3m7n s ARG 78 N 0.68 0.81 -0.05 4.97 3.52 -0.68 -4.75 118.95 123.46 3m7n s ARG 78 Ca -0.05 -0.53 -0.25 0.00 -0.13 0.00 0.00 55.73 54.76 3m7n s ARG 78 Cb -0.07 -2.19 -0.03 0.00 -1.56 0.00 0.00 34.95 31.10 3m7n s ARG 78 CO -0.03 -0.65 0.79 -0.47 -0.81 0.00 0.00 175.30 174.14 3m7n s TYR 79 N 1.78 3.60 -0.06 5.12 5.04 -1.26 -1.90 117.35 129.67 3m7n s TYR 79 Ca -0.01 1.39 -0.04 0.00 -2.44 0.00 0.00 57.07 55.96 3m7n s TYR 79 Cb -0.17 -2.91 0.02 0.00 0.35 0.00 0.00 41.96 39.25 3m7n s TYR 79 CO -0.08 0.05 0.14 1.21 -1.34 0.00 0.00 175.55 175.53 3m7n s ASN 80 N 0.87 -0.13 -0.19 4.32 2.47 -0.76 -4.84 114.94 116.68 3m7n s ASN 80 Ca 0.42 0.28 -0.07 0.00 0.42 0.00 0.00 52.86 53.91 3m7n s ASN 80 Cb -0.19 0.25 -0.04 0.00 -1.45 0.00 0.00 41.25 39.82 3m7n s ASN 80 CO 0.21 -0.08 0.07 -0.04 -3.72 0.00 0.00 177.10 173.53 3m7n s MET 81 N 0.44 3.95 0.39 0.43 -1.94 -1.26 -1.40 119.30 119.91 3m7n s MET 81 Ca -0.03 -0.35 -0.26 0.00 -1.71 0.00 0.00 55.69 53.34 3m7n s MET 81 Cb -0.04 -3.23 -0.09 0.00 2.01 0.00 0.00 34.83 33.48 3m7n s MET 81 CO -0.02 0.23 1.18 0.00 -0.01 0.00 0.00 175.02 176.40 3m7n s ALA 82 N 0.49 3.20 0.41 3.03 0.00 -0.99 -4.86 121.76 123.03 3m7n s ALA 82 Ca 0.03 1.00 0.23 0.00 0.00 0.00 0.00 51.96 53.22 3m7n s ALA 82 Cb -0.13 -3.39 1.22 0.00 0.00 0.00 0.00 23.12 20.82 3m7n s ALA 82 CO 0.01 -0.53 1.72 -1.35 0.00 0.00 0.00 175.76 175.60 3m7n h PRO 83 N 2.75 0.27 -0.55 0.00 0.11 -1.92 -0.84 132.00 131.83 3m7n h PRO 83 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3m7n h PRO 83 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3m7n h PRO 83 CO 0.63 0.18 0.00 1.97 -0.21 0.00 0.00 178.00 180.57 3m7n n PHE 84 N -4.65 0.81 1.12 0.65 -1.74 -1.26 -1.75 117.46 110.64 3m7n n PHE 84 Ca 0.29 -0.37 0.12 0.00 -0.56 0.00 0.00 57.45 56.93 3m7n n PHE 84 Cb 1.07 -0.06 0.25 0.00 1.52 0.00 0.00 39.48 42.26 3m7n n PHE 84 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 3m7n n SER 85 N 0.94 0.97 -4.44 5.98 3.41 -0.32 -4.91 113.62 115.25 3m7n n SER 85 Ca 0.18 -0.77 -0.22 0.00 -0.26 0.00 0.00 58.87 57.80 3m7n n SER 85 Cb 0.51 0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.64 3m7n n SER 85 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3m7n s VAL 86 N -2.70 1.89 0.50 -3.33 -7.23 -1.26 -0.15 120.40 108.12 3m7n s VAL 86 Ca 0.18 -2.20 0.21 0.00 -1.81 0.00 0.00 61.98 58.36 3m7n s VAL 86 Cb 0.18 -2.39 0.36 0.00 0.56 0.00 0.00 36.38 35.09 3m7n s VAL 86 CO 0.61 -0.35 2.02 -0.08 -0.31 0.00 0.00 175.10 176.99 3m7n h GLU 87 N 2.28 0.11 -4.51 4.82 4.81 -1.92 -3.37 114.58 116.81 3m7n h GLU 87 Ca -0.40 -0.01 -0.55 0.00 -0.13 0.00 0.00 59.36 58.27 3m7n h GLU 87 Cb 1.24 -0.02 -0.35 0.00 0.63 0.00 0.00 28.75 30.24 3m7n h GLU 87 CO 0.66 0.07 -0.82 -2.00 -0.73 0.00 0.00 179.01 176.19 3m7n s GLU 88 N -5.13 1.89 -0.47 1.92 2.56 -1.26 -5.07 118.70 113.14 3m7n s GLU 88 Ca -0.06 -0.42 -0.45 0.00 0.00 0.00 0.00 54.97 54.04 3m7n s GLU 88 Cb 0.19 -1.73 -0.19 0.00 2.00 0.00 0.00 34.13 34.40 3m7n s GLU 88 CO 0.72 -0.15 1.84 -2.13 -0.56 0.00 0.00 175.26 174.99 3m7n n ARG 89 N 4.49 0.15 -3.27 4.30 0.00 -1.26 -4.90 116.66 116.17 3m7n n ARG 89 Ca -0.17 0.05 -0.38 0.00 -0.00 0.00 0.00 57.85 57.35 3m7n n ARG 89 Cb 0.51 -1.59 -0.06 0.00 0.00 0.00 0.00 32.46 31.31 3m7n n ARG 89 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3m7n s LYS 90 N 4.32 4.35 0.22 -0.14 2.20 -0.72 -5.03 119.74 124.94 3m7n s LYS 90 Ca 1.10 0.53 -0.31 0.00 -0.36 0.00 0.00 55.97 56.93 3m7n s LYS 90 Cb -1.44 -3.43 -0.11 0.00 -1.51 0.00 0.00 37.83 31.35 3m7n s LYS 90 CO 0.73 0.16 1.61 0.50 -0.36 0.00 0.00 175.35 177.99 3m7n s ARG 91 N 0.58 4.17 0.72 4.03 3.52 -1.26 -4.14 118.95 126.57 3m7n s ARG 91 Ca 0.28 2.48 -0.16 0.00 -0.13 0.00 0.00 55.73 58.21 3m7n s ARG 91 Cb -0.16 -3.09 0.03 0.00 -1.56 0.00 0.00 34.95 30.17 3m7n s ARG 91 CO 0.12 -0.64 1.22 -2.14 -0.81 0.00 0.00 175.30 173.05 3m7n s PRO 92 N 0.59 2.20 0.00 5.12 0.02 -1.26 -4.94 135.00 136.73 3m7n s PRO 92 Ca 0.69 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3m7n s PRO 92 Cb -0.46 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.22 3m7n s PRO 92 CO 0.37 -1.80 0.00 0.41 -0.33 0.00 0.00 177.00 175.65 3m7n n GLY 93 N 0.50 2.71 3.02 0.52 0.00 -1.26 -5.06 105.19 105.61 3m7n n GLY 93 Ca 0.14 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.03 3m7n n GLY 93 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3m7n n PRO 94 N 0.62 -1.55 0.00 1.61 -0.02 -1.26 -5.00 135.00 129.40 3m7n n PRO 94 Ca 0.00 -0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 3m7n n PRO 94 Cb 0.00 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3m7n n PRO 94 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3m7n n ASP 95 N -0.11 0.00 -0.09 2.55 -0.08 -1.26 -5.05 116.55 112.51 3m7n n ASP 95 Ca 0.03 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.22 3m7n n ASP 95 Cb 0.40 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.84 3m7n n ASP 95 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3m7n h ARG 96 N 0.00 0.42 -0.15 -0.67 3.08 -1.98 0.17 114.38 115.24 3m7n h ARG 96 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3m7n h ARG 96 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3m7n h ARG 96 CO 0.00 0.36 0.09 -0.09 -1.07 0.00 0.00 179.97 179.27 3m7n h ARG 97 N 0.36 0.20 -0.51 0.04 2.43 -1.98 0.59 114.38 115.51 3m7n h ARG 97 Ca 0.10 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 3m7n h ARG 97 Cb 0.07 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 3m7n h ARG 97 CO -0.02 0.17 0.21 0.77 -1.51 0.00 0.00 179.97 179.59 3m7n h SER 98 N 0.18 0.24 -0.57 -3.80 0.02 -1.83 0.22 113.55 108.01 3m7n h SER 98 Ca 0.05 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3m7n h SER 98 Cb 0.02 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3m7n h SER 98 CO -0.01 0.17 0.24 0.40 -1.14 0.00 0.00 176.83 176.49 3m7n h ILE 99 N 0.40 1.22 0.38 3.27 1.08 -0.27 0.36 117.51 123.96 3m7n h ILE 99 Ca 0.24 -0.68 -0.02 0.00 -0.39 0.00 0.00 64.86 64.01 3m7n h ILE 99 Cb 0.23 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 3m7n h ILE 99 CO -0.22 0.26 -0.18 -0.08 -0.69 0.00 0.00 178.15 177.24 3m7n h GLU 100 N 0.78 -0.49 -0.75 2.37 4.57 -0.22 -1.84 114.58 118.99 3m7n h GLU 100 Ca 0.19 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.51 3m7n h GLU 100 Cb 0.19 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.81 3m7n h GLU 100 CO -0.02 -0.27 0.38 0.82 -1.18 0.00 0.00 179.01 178.74 3m7n h ILE 101 N -0.61 0.83 -0.87 2.32 2.04 -0.40 -1.10 117.51 119.72 3m7n h ILE 101 Ca -0.05 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3m7n h ILE 101 Cb 0.45 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 3m7n h ILE 101 CO 0.09 0.11 0.49 0.28 0.00 0.00 0.00 178.15 179.12 3m7n h SER 102 N 0.63 1.07 0.11 1.72 0.02 -0.78 -0.33 113.55 115.98 3m7n h SER 102 Ca 0.38 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 3m7n h SER 102 Cb 0.43 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3m7n h SER 102 CO -0.29 0.84 -0.05 0.50 -1.14 0.00 0.00 176.83 176.69 3m7n h LYS 103 N 1.21 -0.15 -0.12 3.45 3.64 -0.35 -0.22 116.57 124.02 3m7n h LYS 103 Ca 0.31 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.60 3m7n h LYS 103 Cb 0.00 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3m7n h LYS 103 CO -0.05 0.15 -0.38 -0.24 -2.27 0.00 0.00 179.45 176.66 3m7n h VAL 104 N -0.44 1.30 -0.28 2.00 3.04 -1.35 -0.85 116.25 119.67 3m7n h VAL 104 Ca -0.02 -1.45 -0.02 0.00 -1.01 0.00 0.00 66.70 64.21 3m7n h VAL 104 Cb 0.36 1.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 3m7n h VAL 104 CO 0.03 0.43 0.08 0.28 -1.01 0.00 0.00 177.57 177.38 3m7n h SER 105 N 0.21 0.41 -0.29 3.17 0.02 -0.96 -2.29 113.55 113.82 3m7n h SER 105 Ca 0.02 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.70 3m7n h SER 105 Cb 0.77 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 3m7n h SER 105 CO 0.06 0.51 0.00 0.50 -1.14 0.00 0.00 176.83 176.76 3m7n h LYS 106 N 0.29 0.62 -0.48 3.45 3.64 -0.80 -2.68 116.57 120.60 3m7n h LYS 106 Ca 0.09 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3m7n h LYS 106 Cb 0.25 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3m7n h LYS 106 CO -0.00 0.64 0.20 0.93 -2.27 0.00 0.00 179.45 178.95 3m7n h GLU 107 N 0.59 0.69 -0.28 1.90 5.08 -0.96 -1.85 114.58 119.75 3m7n h GLU 107 Ca 0.12 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3m7n h GLU 107 Cb 0.37 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3m7n h GLU 107 CO 0.01 0.56 -0.13 0.00 -1.00 0.00 0.00 179.01 178.45 3m7n h ALA 108 N 1.54 1.26 0.00 3.43 0.00 -1.07 -2.92 119.26 121.50 3m7n h ALA 108 Ca 0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3m7n h ALA 108 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3m7n h ALA 108 CO -0.02 0.49 -0.77 0.74 0.00 0.00 0.00 179.25 179.69 3m7n h PHE 109 N 0.44 0.00 -0.03 0.00 -1.00 -1.36 -3.23 116.94 111.76 3m7n h PHE 109 Ca 0.08 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 3m7n h PHE 109 Cb 0.49 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 3m7n h PHE 109 CO 0.02 0.20 -0.14 0.93 -1.61 0.00 0.00 178.31 177.71 3m7n h GLU 110 N 0.00 0.04 0.00 1.51 5.08 -1.16 0.71 114.58 120.76 3m7n h GLU 110 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3m7n h GLU 110 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3m7n h GLU 110 CO 0.02 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 3m7n n ALA 111 N -2.51 2.46 0.07 3.43 0.00 -1.16 -4.41 120.51 118.38 3m7n n ALA 111 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3m7n n ALA 111 Cb 0.22 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3m7n n ALA 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3m7n n VAL 112 N -0.77 0.00 -1.67 0.00 0.31 -0.87 -4.96 118.33 110.38 3m7n n VAL 112 Ca 0.11 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.99 3m7n n VAL 112 Cb 0.05 -0.39 -0.03 0.00 -0.91 0.00 0.00 33.84 32.56 3m7n n VAL 112 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3m7n n ILE 113 N -2.89 0.63 -2.02 2.52 5.41 0.19 -1.31 119.36 121.89 3m7n n ILE 113 Ca 0.00 -0.16 -0.40 0.00 1.00 0.00 0.00 62.75 63.20 3m7n n ILE 113 Cb 0.00 -1.47 -0.02 0.00 -0.71 0.00 0.00 39.64 37.43 3m7n n ILE 113 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 3m7n n MET 114 N 2.47 2.48 0.23 0.38 2.81 -0.49 -4.76 117.12 120.24 3m7n n MET 114 Ca 0.13 -2.70 0.15 0.00 -1.81 0.00 0.00 57.70 53.48 3m7n n MET 114 Cb 0.30 -3.40 0.51 0.00 -0.71 0.00 0.00 33.22 29.92 3m7n n MET 114 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3m7n h LYS 115 N 7.72 0.00 0.00 0.03 2.10 -1.89 -2.16 116.57 122.37 3m7n h LYS 115 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 3m7n h LYS 115 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 3m7n h LYS 115 CO 1.60 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 178.20 3m7n n GLU 116 N -2.91 0.07 0.22 0.07 0.00 -1.26 0.04 120.64 116.86 3m7n n GLU 116 Ca 0.02 0.38 0.12 0.00 0.00 0.00 0.00 57.16 57.68 3m7n n GLU 116 Cb 0.36 -1.64 0.31 0.00 0.00 0.00 0.00 31.44 30.46 3m7n n GLU 116 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3m7n h LEU 117 N 0.00 0.00 -6.31 -1.84 3.38 -1.71 -3.40 115.31 105.43 3m7n h LEU 117 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3m7n h LEU 117 Cb 0.21 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.56 3m7n h LEU 117 CO 0.00 0.10 -0.91 0.49 0.09 0.00 0.00 178.44 178.21 3m7n n PHE 118 N -3.15 0.59 -2.15 1.13 3.01 -1.09 -5.05 117.46 110.75 3m7n n PHE 118 Ca 0.02 -3.67 -0.40 0.00 1.01 0.00 0.00 57.45 54.41 3m7n n PHE 118 Cb 0.49 -0.21 -0.02 0.00 -0.01 0.00 0.00 39.48 39.74 3m7n n PHE 118 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 3m7n s PRO 119 N -1.00 4.15 0.00 -1.08 0.02 -1.25 -2.58 135.00 133.26 3m7n s PRO 119 Ca 0.34 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.44 3m7n s PRO 119 Cb 0.09 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.75 3m7n s PRO 119 CO -0.13 -0.31 0.00 0.54 -0.33 0.00 0.00 177.00 176.76 3m7n n ARG 120 N 0.39 -0.81 -3.74 5.54 1.74 0.19 -4.91 116.66 115.06 3m7n n ARG 120 Ca 0.02 0.20 -0.21 0.00 -0.77 0.00 0.00 57.85 57.10 3m7n n ARG 120 Cb 0.44 -3.85 -0.03 0.00 -1.02 0.00 0.00 32.46 28.00 3m7n n ARG 120 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3m7n s SER 121 N -2.06 5.52 0.02 0.55 0.01 -1.06 -3.96 113.70 112.71 3m7n s SER 121 Ca 0.00 -0.38 0.07 0.00 1.31 0.00 0.00 55.95 56.95 3m7n s SER 121 Cb 0.00 -1.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.11 3m7n s SER 121 CO 0.00 -0.35 -0.20 0.00 0.41 0.00 0.00 173.24 173.10 3m7n s ALA 122 N -2.25 2.49 -0.27 1.44 0.00 0.15 -1.36 121.76 121.96 3m7n s ALA 122 Ca 0.41 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 3m7n s ALA 122 Cb -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.39 3m7n s ALA 122 CO 0.28 0.56 -0.05 0.42 0.00 0.00 0.00 175.76 176.96 3m7n s ILE 123 N -0.83 2.76 -0.15 0.00 1.01 0.13 -0.75 121.20 123.37 3m7n s ILE 123 Ca 0.13 -1.26 -0.06 0.00 0.00 0.00 0.00 60.65 59.46 3m7n s ILE 123 Cb -0.10 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 3m7n s ILE 123 CO 0.03 0.06 0.05 -1.81 0.00 0.00 0.00 174.94 173.28 3m7n s ASP 124 N 1.26 5.62 -0.15 3.58 -0.00 0.57 -1.75 116.67 125.80 3m7n s ASP 124 Ca -0.03 0.15 0.00 0.00 -0.00 0.00 0.00 52.55 52.67 3m7n s ASP 124 Cb -0.18 -1.85 0.02 0.00 -0.00 0.00 0.00 42.92 40.91 3m7n s ASP 124 CO -0.04 0.27 -0.14 -0.63 -0.00 0.00 0.00 175.17 174.63 3m7n s ILE 125 N -0.18 1.56 -0.12 0.77 1.01 0.14 -0.81 121.20 123.57 3m7n s ILE 125 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.07 3m7n s ILE 125 Cb -0.12 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 3m7n s ILE 125 CO 0.01 0.43 -0.13 -0.36 0.00 0.00 0.00 174.94 174.89 3m7n s PHE 126 N 1.49 2.80 -0.06 3.97 0.40 -0.05 -1.68 117.98 124.84 3m7n s PHE 126 Ca 0.04 -0.60 0.02 0.00 -0.60 0.00 0.00 56.93 55.80 3m7n s PHE 126 Cb -0.13 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.59 3m7n s PHE 126 CO -0.10 -0.17 -0.11 0.08 0.70 0.00 0.00 175.22 175.61 3m7n s VAL 127 N 0.24 1.06 -0.14 -0.44 1.01 -0.80 -0.74 120.40 120.59 3m7n s VAL 127 Ca -0.09 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3m7n s VAL 127 Cb -0.15 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.25 3m7n s VAL 127 CO 0.05 0.34 -0.21 -1.61 0.00 0.00 0.00 175.10 173.67 3m7n s GLU 128 N 0.66 3.06 -0.36 2.72 0.41 -0.46 -1.83 118.70 122.90 3m7n s GLU 128 Ca -0.14 -0.84 -0.23 0.00 -0.41 0.00 0.00 54.97 53.36 3m7n s GLU 128 Cb -0.15 -2.46 0.01 0.00 -1.78 0.00 0.00 34.13 29.75 3m7n s GLU 128 CO 0.03 0.01 0.77 0.54 -0.49 0.00 0.00 175.26 176.12 3m7n s VAL 129 N 0.77 4.75 0.06 2.63 0.11 -0.49 -1.93 120.40 126.30 3m7n s VAL 129 Ca -0.08 0.88 0.03 0.00 -2.93 0.00 0.00 61.98 59.88 3m7n s VAL 129 Cb -0.16 -4.19 -0.24 0.00 -1.53 0.00 0.00 36.38 30.26 3m7n s VAL 129 CO -0.01 -0.41 1.06 -0.07 -3.33 0.00 0.00 175.10 172.34 3m7n h LEU 130 N 9.69 0.18 -7.40 2.54 4.07 -0.63 -2.62 115.31 121.13 3m7n h LEU 130 Ca -0.25 -0.22 -0.29 0.00 0.08 0.00 0.00 57.88 57.20 3m7n h LEU 130 Cb 1.10 -0.06 -0.35 0.00 1.08 0.00 0.00 40.66 42.43 3m7n h LEU 130 CO 0.90 1.18 -0.67 -1.58 -1.08 0.00 0.00 178.44 177.19 3m7n s GLN 131 N -2.66 0.01 -0.13 1.13 0.74 -0.82 -4.13 119.66 113.80 3m7n s GLN 131 Ca -0.03 0.35 -0.07 0.00 0.05 0.00 0.00 55.36 55.66 3m7n s GLN 131 Cb 0.08 -0.28 -0.04 0.00 1.10 0.00 0.00 33.01 33.87 3m7n s GLN 131 CO 0.84 -0.23 0.13 0.00 -0.55 0.00 0.00 175.29 175.49 3m7n s ALA 132 N 1.55 3.82 0.07 1.58 0.00 0.79 -1.15 121.76 128.41 3m7n s ALA 132 Ca -0.04 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.28 3m7n s ALA 132 Cb -0.12 -1.96 -0.00 0.00 0.00 0.00 0.00 23.12 21.03 3m7n s ALA 132 CO -0.04 0.56 0.05 -3.47 0.00 0.00 0.00 175.76 172.85 3m7n n ASP 133 N 2.19 0.20 -4.68 0.00 2.03 -1.26 -4.80 116.55 110.22 3m7n n ASP 133 Ca -0.19 -1.43 -0.39 0.00 0.52 0.00 0.00 54.79 53.29 3m7n n ASP 133 Cb 0.55 0.29 0.03 0.00 -0.72 0.00 0.00 41.12 41.27 3m7n n ASP 133 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3m7n n ALA 134 N -2.57 0.99 -1.18 -1.67 0.00 -1.26 -2.97 120.51 111.86 3m7n n ALA 134 Ca -0.03 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 3m7n n ALA 134 Cb 0.12 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.31 3m7n n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m7n n GLY 135 N 0.95 0.84 0.32 0.00 0.00 -1.26 -4.85 105.19 101.19 3m7n n GLY 135 Ca 0.10 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.53 3m7n n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3m7n h SER 136 N 0.00 0.62 0.11 1.61 4.64 -1.94 0.22 113.55 118.81 3m7n h SER 136 Ca -0.12 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3m7n h SER 136 Cb 0.43 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3m7n h SER 136 CO 0.18 0.26 -0.07 0.08 -0.87 0.00 0.00 176.83 176.41 3m7n h ARG 137 N 0.69 0.00 0.01 4.77 0.11 -1.92 0.12 114.38 118.17 3m7n h ARG 137 Ca 0.49 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.51 3m7n h ARG 137 Cb 0.68 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.77 3m7n h ARG 137 CO -0.36 0.07 -0.25 1.15 0.10 0.00 0.00 179.97 180.68 3m7n h THR 138 N 0.00 1.59 -0.64 0.08 2.02 -1.02 -1.78 112.91 113.16 3m7n h THR 138 Ca -0.00 -2.08 0.13 0.00 0.77 0.00 0.00 66.41 65.24 3m7n h THR 138 Cb 0.15 2.94 -0.10 0.00 -1.74 0.00 0.00 68.15 69.39 3m7n h THR 138 CO 0.01 0.56 0.04 0.00 0.37 0.00 0.00 175.52 176.50 3m7n h ALA 139 N 0.19 0.68 -0.39 6.16 0.00 -0.48 -2.45 119.26 122.96 3m7n h ALA 139 Ca -0.04 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3m7n h ALA 139 Cb 1.06 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3m7n h ALA 139 CO 0.05 -0.38 0.13 0.00 0.00 0.00 0.00 179.25 179.05 3m7n h LEU 141 N 0.49 0.89 -0.10 0.00 3.38 -1.09 0.11 115.31 118.98 3m7n h LEU 141 Ca 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3m7n h LEU 141 Cb 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3m7n h LEU 141 CO -0.01 0.65 0.04 0.78 0.09 0.00 0.00 178.44 179.99 3m7n h ASN 142 N 1.04 0.15 -0.32 -0.43 2.35 -0.97 -1.93 115.58 115.47 3m7n h ASN 142 Ca 0.28 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3m7n h ASN 142 Cb -0.11 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3m7n h ASN 142 CO -0.06 0.29 0.19 0.00 -1.65 0.00 0.00 177.43 176.20 3m7n h ALA 143 N 0.86 0.41 -0.53 -0.83 0.00 -1.04 -2.79 119.26 115.35 3m7n h ALA 143 Ca 0.03 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.97 3m7n h ALA 143 Cb 0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 3m7n h ALA 143 CO -0.00 -0.08 0.15 0.00 0.00 0.00 0.00 179.25 179.31 3m7n h ALA 144 N 1.07 0.63 -0.99 0.00 0.00 -0.66 0.08 119.26 119.39 3m7n h ALA 144 Ca 0.12 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3m7n h ALA 144 Cb 0.02 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3m7n h ALA 144 CO -0.02 -0.26 0.65 1.03 0.00 0.00 0.00 179.25 180.65 3m7n h SER 145 N 0.30 1.10 -0.39 0.00 0.87 -1.16 -0.43 113.55 113.84 3m7n h SER 145 Ca 0.26 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.67 3m7n h SER 145 Cb 0.34 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3m7n h SER 145 CO -0.31 0.77 -0.28 0.58 -0.53 0.00 0.00 176.83 177.05 3m7n h VAL 146 N 1.28 1.28 -0.68 2.23 2.07 -0.94 -1.87 116.25 119.62 3m7n h VAL 146 Ca 0.38 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3m7n h VAL 146 Cb -0.05 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3m7n h VAL 146 CO -0.11 0.48 0.35 0.00 0.02 0.00 0.00 177.57 178.32 3m7n h ALA 147 N 0.79 0.87 -0.45 1.67 0.00 -0.52 0.33 119.26 121.96 3m7n h ALA 147 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3m7n h ALA 147 Cb 0.86 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3m7n h ALA 147 CO 0.08 0.41 0.29 -0.07 0.00 0.00 0.00 179.25 179.96 3m7n h LEU 148 N 0.94 0.50 -0.38 0.00 3.38 -0.92 0.22 115.31 119.05 3m7n h LEU 148 Ca 0.24 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3m7n h LEU 148 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3m7n h LEU 148 CO -0.03 0.36 0.17 0.58 0.09 0.00 0.00 178.44 179.60 3m7n h VAL 149 N 0.59 1.18 -0.97 1.22 2.07 -0.95 -1.86 116.25 117.53 3m7n h VAL 149 Ca 0.17 -0.54 0.16 0.00 0.82 0.00 0.00 66.70 67.31 3m7n h VAL 149 Cb -0.06 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 30.45 3m7n h VAL 149 CO -0.04 0.20 0.58 -0.78 0.02 0.00 0.00 177.57 177.54 3m7n h ASP 150 N 0.47 0.76 -0.02 0.57 -0.00 0.14 -0.04 116.42 118.32 3m7n h ASP 150 Ca 0.13 0.08 0.00 0.00 -0.00 0.00 0.00 57.03 57.24 3m7n h ASP 150 Cb 0.15 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 39.43 3m7n h ASP 150 CO -0.01 0.32 0.00 0.00 -0.00 0.00 0.00 179.24 179.55 3m7n n ALA 151 N -2.36 2.64 -1.88 -0.78 0.00 0.74 -4.77 120.51 114.10 3m7n n ALA 151 Ca 0.21 -0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 3m7n n ALA 151 Cb 0.48 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 3m7n n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m7n n GLY 152 N 0.96 0.64 3.64 0.00 0.00 -0.03 -4.89 105.19 105.51 3m7n n GLY 152 Ca 0.19 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3m7n n GLY 152 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3m7n s VAL 153 N -2.68 4.75 0.12 1.61 -7.23 -0.94 -4.98 120.40 111.05 3m7n s VAL 153 Ca 0.00 1.67 -0.35 0.00 -1.81 0.00 0.00 61.98 61.49 3m7n s VAL 153 Cb 0.00 -4.21 -0.17 0.00 0.56 0.00 0.00 36.38 32.56 3m7n s VAL 153 CO 0.00 -0.18 1.17 -2.65 -0.31 0.00 0.00 175.10 173.13 3m7n n PRO 154 N 6.23 0.94 -3.84 4.82 -0.02 -1.26 -4.73 135.00 137.13 3m7n n PRO 154 Ca 0.08 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.79 3m7n n PRO 154 Cb 0.47 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 32.02 3m7n n PRO 154 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3m7n s MET 155 N -0.08 0.74 0.51 -0.52 -1.94 -1.26 -1.39 119.30 115.36 3m7n s MET 155 Ca 0.79 -0.72 0.25 0.00 -1.71 0.00 0.00 55.69 54.29 3m7n s MET 155 Cb -0.95 0.31 1.38 0.00 2.01 0.00 0.00 34.83 37.58 3m7n s MET 155 CO 0.51 -0.22 2.07 0.87 -0.01 0.00 0.00 175.02 178.24 3m7n h LYS 156 N 3.24 0.00 0.00 2.03 1.57 -1.55 -3.47 116.57 118.38 3m7n h LYS 156 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3m7n h LYS 156 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3m7n h LYS 156 CO 0.50 0.12 0.00 0.41 -0.57 0.00 0.00 179.45 179.92 3m7n n GLY 157 N -0.83 -1.06 3.88 3.86 0.00 -1.26 -4.85 105.19 104.93 3m7n n GLY 157 Ca -0.02 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 3m7n n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3m7n s MET 158 N -1.18 3.73 -0.19 1.61 -1.94 -0.82 -4.82 119.30 115.69 3m7n s MET 158 Ca 0.00 0.37 -0.06 0.00 -1.71 0.00 0.00 55.69 54.29 3m7n s MET 158 Cb 0.00 -2.43 -0.03 0.00 2.01 0.00 0.00 34.83 34.38 3m7n s MET 158 CO 0.00 -0.01 0.02 0.42 -0.01 0.00 0.00 175.02 175.44 3m7n s ILE 159 N -2.36 4.20 -0.01 2.53 -1.09 -1.26 0.01 121.20 123.23 3m7n s ILE 159 Ca 0.50 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.72 3m7n s ILE 159 Cb -0.10 -2.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.87 3m7n s ILE 159 CO 0.32 0.44 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.47 3m7n s THR 160 N 0.80 0.84 0.00 2.92 2.01 -0.50 -4.72 115.64 117.00 3m7n s THR 160 Ca 0.01 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.58 3m7n s THR 160 Cb -0.14 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 3m7n s THR 160 CO 0.02 0.24 -0.04 -0.55 -0.69 0.00 0.00 174.62 173.60 3m7n s SER 161 N -0.20 0.48 0.04 3.53 0.15 -1.26 -0.34 113.70 116.09 3m7n s SER 161 Ca 0.03 -0.13 -0.20 0.00 0.70 0.00 0.00 55.95 56.35 3m7n s SER 161 Cb -0.05 -0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.27 3m7n s SER 161 CO -0.00 0.01 0.45 -0.69 1.20 0.00 0.00 173.24 174.21 3m7n s VAL 162 N -0.27 0.05 0.06 4.45 1.01 -0.85 -4.81 120.40 120.03 3m7n s VAL 162 Ca -0.00 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3m7n s VAL 162 Cb -0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3m7n s VAL 162 CO -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 175.10 174.89 3m7n s ALA 163 N -2.34 3.28 -0.09 5.51 0.00 -1.26 -0.42 121.76 126.44 3m7n s ALA 163 Ca -0.06 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 3m7n s ALA 163 Cb -0.01 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3m7n s ALA 163 CO -0.01 0.68 -0.06 0.08 0.00 0.00 0.00 175.76 176.45 3m7n s VAL 164 N -1.23 3.77 0.57 0.00 1.01 -0.36 0.23 120.40 124.39 3m7n s VAL 164 Ca 0.24 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.84 3m7n s VAL 164 Cb -0.12 -2.57 0.06 0.00 0.00 0.00 0.00 36.38 33.75 3m7n s VAL 164 CO 0.15 0.57 0.53 -0.83 0.00 0.00 0.00 175.10 175.52 3m7n s GLY 165 N -0.46 2.20 -0.06 4.51 0.00 0.87 -0.24 107.32 114.14 3m7n s GLY 165 Ca 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.35 3m7n s GLY 165 CO 0.02 -1.89 -0.03 1.25 0.00 0.00 0.00 173.10 172.45 3m7n s LYS 166 N -4.42 0.78 -0.02 2.90 2.20 -0.94 -1.14 119.74 119.09 3m7n s LYS 166 Ca 0.41 -0.03 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 3m7n s LYS 166 Cb -0.03 -0.92 0.00 0.00 -1.51 0.00 0.00 37.83 35.37 3m7n s LYS 166 CO 0.26 -0.17 -0.08 0.00 -0.36 0.00 0.00 175.35 174.99 3m7n s ALA 167 N 1.35 0.76 -1.06 3.13 0.00 0.19 -0.58 121.76 125.54 3m7n s ALA 167 Ca -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 3m7n s ALA 167 Cb -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.72 3m7n s ALA 167 CO -0.02 0.14 0.01 -0.25 0.00 0.00 0.00 175.76 175.63 3m7n n ASP 168 N 3.19 0.59 0.00 0.00 10.43 -1.26 0.24 116.55 129.74 3m7n n ASP 168 Ca -0.17 -0.88 0.00 0.00 2.57 0.00 0.00 54.79 56.31 3m7n n ASP 168 Cb 0.55 -1.09 0.00 0.00 1.84 0.00 0.00 41.12 42.42 3m7n n ASP 168 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3m7n n GLY 169 N -2.09 0.47 3.13 0.44 0.00 -1.26 -5.01 105.19 100.87 3m7n n GLY 169 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 3m7n n GLY 169 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3m7n s GLN 170 N -0.36 1.71 0.26 1.61 0.74 0.67 -5.11 119.66 119.18 3m7n s GLN 170 Ca 0.00 -0.59 -0.30 0.00 0.05 0.00 0.00 55.36 54.52 3m7n s GLN 170 Cb 0.00 -1.50 -0.11 0.00 1.10 0.00 0.00 33.01 32.50 3m7n s GLN 170 CO 0.00 0.24 1.57 -0.51 -0.55 0.00 0.00 175.29 176.05 3m7n s LEU 171 N 0.02 4.36 -0.04 3.68 1.43 -1.26 0.55 118.68 127.43 3m7n s LEU 171 Ca -0.03 2.85 -0.00 0.00 -1.03 0.00 0.00 54.13 55.92 3m7n s LEU 171 Cb -0.11 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.51 3m7n s LEU 171 CO 0.02 -0.87 0.01 0.68 0.23 0.00 0.00 176.35 176.42 3m7n s VAL 172 N 0.23 0.15 0.19 -1.59 -7.23 -0.30 -4.84 120.40 107.03 3m7n s VAL 172 Ca 0.64 0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 60.66 3m7n s VAL 172 Cb -0.46 -0.29 -0.09 0.00 0.56 0.00 0.00 36.38 36.10 3m7n s VAL 172 CO 0.44 0.17 1.34 -0.22 -0.31 0.00 0.00 175.10 176.52 3m7n s LEU 173 N 1.37 4.40 -1.00 1.32 2.96 -0.11 -0.09 118.68 127.54 3m7n s LEU 173 Ca -0.05 2.43 -0.07 0.00 -0.22 0.00 0.00 54.13 56.22 3m7n s LEU 173 Cb -0.13 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 3m7n s LEU 173 CO -0.03 -0.58 0.85 -0.67 -1.32 0.00 0.00 176.35 174.61 3m7n n ASP 174 N 2.80 -6.67 -4.65 3.68 4.64 0.14 -4.67 116.55 111.82 3m7n n ASP 174 Ca 0.07 -0.63 -0.37 0.00 -1.38 0.00 0.00 54.79 52.48 3m7n n ASP 174 Cb 0.42 -4.91 0.07 0.00 -1.04 0.00 0.00 41.12 35.66 3m7n n ASP 174 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3m7n n PRO 175 N -3.06 0.87 -2.85 -0.67 -0.02 -1.26 -4.72 135.00 123.29 3m7n n PRO 175 Ca -0.06 0.35 -0.19 0.00 -2.02 0.00 0.00 63.50 61.57 3m7n n PRO 175 Cb 0.59 -2.28 0.03 0.00 -0.02 0.00 0.00 33.50 31.82 3m7n n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m7n s MET 176 N -3.06 2.58 0.08 -0.52 0.23 -1.26 -4.56 119.30 112.79 3m7n s MET 176 Ca 0.78 -1.12 -0.18 0.00 -1.03 0.00 0.00 55.69 54.14 3m7n s MET 176 Cb -0.39 -2.62 -0.05 0.00 -1.53 0.00 0.00 34.83 30.24 3m7n s MET 176 CO 0.45 -0.58 1.31 -0.22 -2.03 0.00 0.00 175.02 173.94 3m7n h LYS 177 N 0.30 -0.13 -0.93 3.16 3.64 -1.93 -1.54 116.57 119.15 3m7n h LYS 177 Ca -0.39 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.17 3m7n h LYS 177 Cb 1.29 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 3m7n h LYS 177 CO 0.47 -0.08 0.60 0.93 -2.27 0.00 0.00 179.45 179.09 3m7n h GLU 178 N -0.13 0.60 -0.46 1.90 3.07 -1.98 0.41 114.58 117.98 3m7n h GLU 178 Ca 0.06 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.77 3m7n h GLU 178 Cb 0.29 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3m7n h GLU 178 CO -0.42 0.40 -0.16 0.93 -1.40 0.00 0.00 179.01 178.35 3m7n h GLU 179 N 0.62 0.93 0.31 2.33 5.08 -1.70 -0.00 114.58 122.14 3m7n h GLU 179 Ca 0.49 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3m7n h GLU 179 Cb 0.92 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3m7n h GLU 179 CO -0.24 1.04 -0.17 0.22 -1.00 0.00 0.00 179.01 178.86 3m7n h ASP 180 N 0.77 -0.42 -0.46 1.42 3.58 -0.27 0.80 116.42 121.84 3m7n h ASP 180 Ca 0.11 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.61 3m7n h ASP 180 Cb 0.73 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.86 3m7n h ASP 180 CO 0.06 -0.28 0.27 0.78 -2.88 0.00 0.00 179.24 177.18 3m7n h ASN 181 N -0.45 0.43 -0.01 2.28 2.35 -0.93 -3.30 115.58 115.94 3m7n h ASN 181 Ca -0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3m7n h ASN 181 Cb 0.36 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3m7n h ASN 181 CO 0.05 0.30 -0.05 0.49 -1.65 0.00 0.00 177.43 176.57 3m7n n PHE 182 N -4.84 0.00 -1.03 1.19 3.01 -0.02 -5.01 117.46 110.75 3m7n n PHE 182 Ca 0.03 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.39 3m7n n PHE 182 Cb 0.08 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.62 3m7n n PHE 182 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m7n n GLY 183 N 0.73 -1.80 0.01 1.37 0.00 0.28 -4.89 105.19 100.89 3m7n n GLY 183 Ca 0.06 -1.59 0.08 0.00 0.00 0.00 0.00 46.02 44.57 3m7n n GLY 183 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m7n n GLU 184 N -2.18 0.74 -3.65 1.61 4.71 0.25 -5.00 120.64 117.12 3m7n n GLU 184 Ca 0.05 -0.12 -0.10 0.00 -0.01 0.00 0.00 57.16 56.98 3m7n n GLU 184 Cb 0.19 -1.35 -0.04 0.00 -1.01 0.00 0.00 31.44 29.23 3m7n n GLU 184 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3m7n s ALA 185 N -2.98 -1.02 -0.17 0.62 0.00 -1.24 -1.69 121.76 115.28 3m7n s ALA 185 Ca -0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.78 3m7n s ALA 185 Cb 0.10 0.80 0.06 0.00 0.00 0.00 0.00 23.12 24.09 3m7n s ALA 185 CO 0.65 -0.74 0.41 0.34 0.00 0.00 0.00 175.76 176.42 3m7n s ASP 186 N -2.83 -0.44 -0.31 0.00 3.68 -0.61 -2.22 116.67 113.93 3m7n s ASP 186 Ca 0.06 0.90 -0.02 0.00 2.13 0.00 0.00 52.55 55.61 3m7n s ASP 186 Cb 0.00 0.87 0.12 0.00 -1.45 0.00 0.00 42.92 42.46 3m7n s ASP 186 CO -0.08 -0.20 0.16 -0.32 0.13 0.00 0.00 175.17 174.86 3m7n s MET 187 N 1.65 0.32 0.31 4.34 1.75 0.67 -1.94 119.30 126.41 3m7n s MET 187 Ca -0.08 -0.83 -0.29 0.00 -1.25 0.00 0.00 55.69 53.24 3m7n s MET 187 Cb -0.09 -1.21 -0.10 0.00 2.84 0.00 0.00 34.83 36.27 3m7n s MET 187 CO -0.13 -1.09 1.39 -2.14 -0.65 0.00 0.00 175.02 172.40 3m7n s PRO 188 N 1.71 4.28 0.18 4.11 0.02 -1.08 -1.23 135.00 142.99 3m7n s PRO 188 Ca 0.12 2.32 0.07 0.00 0.02 0.00 0.00 61.00 63.53 3m7n s PRO 188 Cb -0.19 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 3m7n s PRO 188 CO -0.22 -0.34 -0.14 -0.06 -0.33 0.00 0.00 177.00 175.90 3m7n s PHE 189 N -0.73 1.61 -0.02 6.54 0.40 0.44 -2.60 117.98 123.62 3m7n s PHE 189 Ca 0.53 -0.58 -0.03 0.00 -0.60 0.00 0.00 56.93 56.25 3m7n s PHE 189 Cb -0.42 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.34 3m7n s PHE 189 CO 0.52 0.28 0.08 0.00 0.70 0.00 0.00 175.22 176.80 3m7n s ALA 190 N -2.76 -0.20 0.13 5.36 0.00 -0.63 -2.01 121.76 121.65 3m7n s ALA 190 Ca 0.18 0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.35 3m7n s ALA 190 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3m7n s ALA 190 CO 0.05 -0.08 -0.26 -0.06 0.00 0.00 0.00 175.76 175.42 3m7n s PHE 191 N -0.32 2.20 0.11 0.00 0.40 0.54 -0.56 117.98 120.35 3m7n s PHE 191 Ca -0.04 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.60 3m7n s PHE 191 Cb -0.03 -1.19 -0.06 0.00 0.51 0.00 0.00 43.02 42.25 3m7n s PHE 191 CO 0.00 0.32 1.09 -1.17 0.70 0.00 0.00 175.22 176.17 3m7n s LEU 192 N -2.08 4.44 -0.25 -0.37 2.96 -0.83 -1.41 118.68 121.15 3m7n s LEU 192 Ca 0.13 1.97 -0.05 0.00 -0.22 0.00 0.00 54.13 55.95 3m7n s LEU 192 Cb -0.10 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 3m7n s LEU 192 CO 0.06 -0.28 0.02 -0.63 -1.32 0.00 0.00 176.35 174.20 3m7n s ILE 193 N 0.36 3.76 0.03 6.68 -1.09 0.10 -1.78 121.20 129.27 3m7n s ILE 193 Ca 0.52 -0.47 -0.00 0.00 -2.23 0.00 0.00 60.65 58.47 3m7n s ILE 193 Cb -0.27 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 3m7n s ILE 193 CO 0.32 0.31 -0.03 -0.60 -1.23 0.00 0.00 174.94 173.70 3m7n s ARG 194 N 1.52 0.45 -1.09 2.79 3.52 -0.76 -1.95 118.95 123.43 3m7n s ARG 194 Ca 0.05 -0.86 -0.11 0.00 -0.13 0.00 0.00 55.73 54.68 3m7n s ARG 194 Cb -0.15 0.10 0.10 0.00 -1.56 0.00 0.00 34.95 33.44 3m7n s ARG 194 CO -0.00 -0.06 0.37 -1.71 -0.81 0.00 0.00 175.30 173.08 3m7n n ASN 195 N 1.02 -2.29 0.00 -2.12 5.15 -1.26 -0.88 115.26 114.88 3m7n n ASN 195 Ca -0.20 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.39 3m7n n ASN 195 Cb 0.57 -1.98 0.00 0.00 -0.53 0.00 0.00 39.78 37.84 3m7n n ASN 195 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3m7n n GLY 196 N -0.93 0.40 3.36 8.20 0.00 -1.26 -4.99 105.19 109.98 3m7n n GLY 196 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3m7n n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m7n s LYS 197 N -0.65 1.37 -0.16 1.61 1.02 -0.05 -5.09 119.74 117.79 3m7n s LYS 197 Ca 0.00 -1.56 -0.29 0.00 0.02 0.00 0.00 55.97 54.14 3m7n s LYS 197 Cb 0.00 -1.29 -0.06 0.00 -0.52 0.00 0.00 37.83 35.97 3m7n s LYS 197 CO 0.00 0.23 2.05 0.42 -0.92 0.00 0.00 175.35 177.14 3m7n s ILE 198 N -2.62 3.12 -0.07 2.17 -1.09 -1.26 -1.83 121.20 119.62 3m7n s ILE 198 Ca 0.22 0.13 -0.06 0.00 -2.23 0.00 0.00 60.65 58.71 3m7n s ILE 198 Cb -0.03 -3.14 -0.02 0.00 -1.58 0.00 0.00 42.46 37.70 3m7n s ILE 198 CO 0.08 -0.07 -0.11 -0.62 -1.23 0.00 0.00 174.94 172.99 3m7n n GLU 199 N 8.28 0.23 -4.30 2.79 1.02 -0.73 -4.96 120.64 122.96 3m7n n GLU 199 Ca 0.25 0.27 -0.17 0.00 -0.02 0.00 0.00 57.16 57.49 3m7n n GLU 199 Cb 0.44 -1.09 -0.09 0.00 -0.02 0.00 0.00 31.44 30.67 3m7n n GLU 199 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3m7n s SER 200 N -4.69 1.26 -0.27 1.62 1.04 -1.25 -5.01 113.70 106.40 3m7n s SER 200 Ca -0.10 -1.53 -0.14 0.00 0.48 0.00 0.00 55.95 54.67 3m7n s SER 200 Cb 0.01 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3m7n s SER 200 CO 0.14 -0.88 0.31 -0.63 0.98 0.00 0.00 173.24 173.16 3m7n s ILE 201 N -3.71 5.22 -0.11 -1.02 1.01 -1.26 -1.96 121.20 119.37 3m7n s ILE 201 Ca 0.37 0.43 0.20 0.00 0.00 0.00 0.00 60.65 61.65 3m7n s ILE 201 Cb 0.05 -3.64 -0.23 0.00 0.01 0.00 0.00 42.46 38.65 3m7n s ILE 201 CO 0.17 0.19 0.54 0.00 0.00 0.00 0.00 174.94 175.84 3m7n n ALA 202 N 5.23 2.35 -3.52 9.38 0.00 0.28 -4.92 120.51 129.31 3m7n n ALA 202 Ca -0.10 -0.65 -0.12 0.00 0.00 0.00 0.00 53.44 52.57 3m7n n ALA 202 Cb 0.51 -0.72 -0.12 0.00 0.00 0.00 0.00 19.45 19.12 3m7n n ALA 202 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3m7n s LEU 203 N -5.06 0.39 -0.14 0.00 0.20 -0.94 -4.33 118.68 108.80 3m7n s LEU 203 Ca -0.06 0.69 -0.06 0.00 0.69 0.00 0.00 54.13 55.38 3m7n s LEU 203 Cb 0.11 1.07 0.06 0.00 -0.43 0.00 0.00 46.19 47.00 3m7n s LEU 203 CO 0.86 -0.15 0.31 -0.22 -0.29 0.00 0.00 176.35 176.85 3m7n s LEU 204 N 0.88 -0.12 -0.03 -0.68 0.20 -1.26 -1.61 118.68 116.06 3m7n s LEU 204 Ca -0.06 0.69 -0.07 0.00 0.69 0.00 0.00 54.13 55.38 3m7n s LEU 204 Cb -0.07 0.93 0.01 0.00 -0.43 0.00 0.00 46.19 46.63 3m7n s LEU 204 CO -0.06 -0.21 0.16 -1.10 -0.29 0.00 0.00 176.35 174.85 3m7n s GLN 205 N 1.94 0.35 -0.08 1.98 -0.21 -1.07 -5.04 119.66 117.54 3m7n s GLN 205 Ca -0.04 -0.07 -0.08 0.00 0.02 0.00 0.00 55.36 55.18 3m7n s GLN 205 Cb -0.11 0.15 0.02 0.00 1.00 0.00 0.00 33.01 34.08 3m7n s GLN 205 CO -0.10 -0.07 0.22 0.00 -2.12 0.00 0.00 175.29 173.22 3m7n s MET 206 N -0.65 0.29 -0.02 2.91 0.23 -1.26 -2.62 119.30 118.17 3m7n s MET 206 Ca -0.07 0.25 0.04 0.00 -1.03 0.00 0.00 55.69 54.87 3m7n s MET 206 Cb -0.04 0.14 -0.00 0.00 -1.53 0.00 0.00 34.83 33.39 3m7n s MET 206 CO 0.01 -0.04 -0.13 0.16 -2.03 0.00 0.00 175.02 172.99 3m7n s ASP 207 N -0.03 1.57 0.00 -1.18 -4.77 -0.82 -5.03 116.67 106.42 3m7n s ASP 207 Ca -0.01 -0.25 0.00 0.00 -3.30 0.00 0.00 52.55 48.99 3m7n s ASP 207 Cb -0.02 -0.31 0.00 0.00 -1.09 0.00 0.00 42.92 41.50 3m7n s ASP 207 CO 0.01 0.13 0.00 0.61 0.70 0.00 0.00 175.17 176.61 3m7n n GLY 208 N 3.02 0.52 2.92 2.12 0.00 -1.26 -1.58 105.19 110.93 3m7n n GLY 208 Ca -0.16 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 3m7n n GLY 208 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m7n s ARG 209 N -0.81 0.33 -0.01 1.61 3.52 -0.68 -4.98 118.95 117.93 3m7n s ARG 209 Ca 0.00 0.54 0.01 0.00 -0.13 0.00 0.00 55.73 56.15 3m7n s ARG 209 Cb 0.00 -0.48 0.01 0.00 -1.56 0.00 0.00 34.95 32.91 3m7n s ARG 209 CO 0.00 -0.62 -0.02 -1.64 -0.81 0.00 0.00 175.30 172.20 3m7n s MET 210 N 2.53 0.30 0.93 5.12 -1.94 -1.26 -4.74 119.30 120.25 3m7n s MET 210 Ca 0.12 -0.07 -0.11 0.00 -1.71 0.00 0.00 55.69 53.92 3m7n s MET 210 Cb -0.15 -0.34 0.15 0.00 2.01 0.00 0.00 34.83 36.50 3m7n s MET 210 CO -0.15 0.01 1.12 0.95 -0.01 0.00 0.00 175.02 176.93 3m7n s THR 211 N 0.26 2.28 0.36 2.05 -4.23 -1.26 -4.84 115.64 110.26 3m7n s THR 211 Ca -0.02 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.62 3m7n s THR 211 Cb -0.05 -2.22 0.21 0.00 1.34 0.00 0.00 72.50 71.78 3m7n s THR 211 CO -0.01 -0.12 1.95 -0.09 -0.54 0.00 0.00 174.62 175.82 3m7n h ARG 212 N -1.86 0.58 0.02 3.99 1.12 -2.00 -2.14 114.38 114.09 3m7n h ARG 212 Ca -0.46 -0.08 -0.21 0.00 -1.11 0.00 0.00 59.98 58.12 3m7n h ARG 212 Cb 1.27 -0.11 0.02 0.00 -0.01 0.00 0.00 29.97 31.14 3m7n h ARG 212 CO 0.45 0.50 -0.83 -0.44 -3.11 0.00 0.00 179.97 176.54 3m7n h ASP 213 N 0.58 0.69 -0.86 -3.80 3.32 -2.00 -3.03 116.42 111.32 3m7n h ASP 213 Ca 0.14 -0.78 0.20 0.00 0.02 0.00 0.00 57.03 56.62 3m7n h ASP 213 Cb 0.14 -0.21 -0.12 0.00 0.22 0.00 0.00 39.33 39.36 3m7n h ASP 213 CO -0.01 1.38 0.33 -0.33 -1.72 0.00 0.00 179.24 178.89 3m7n h GLU 214 N 0.07 0.36 0.30 3.56 5.08 -1.86 0.17 114.58 122.26 3m7n h GLU 214 Ca -0.11 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3m7n h GLU 214 Cb 1.53 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.70 3m7n h GLU 214 CO 0.16 0.24 -0.14 0.28 -1.00 0.00 0.00 179.01 178.55 3m7n h VAL 215 N 0.37 0.72 -0.78 3.13 2.07 -1.35 0.30 116.25 120.70 3m7n h VAL 215 Ca 0.52 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.94 3m7n h VAL 215 Cb 0.95 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 3m7n h VAL 215 CO -0.52 0.02 0.46 0.11 0.02 0.00 0.00 177.57 177.66 3m7n h LYS 216 N -0.45 1.06 -0.73 1.57 1.57 -1.27 -1.40 116.57 116.92 3m7n h LYS 216 Ca -0.04 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 3m7n h LYS 216 Cb 0.34 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3m7n h LYS 216 CO 0.07 0.75 0.30 1.96 -0.57 0.00 0.00 179.45 181.96 3m7n h GLN 217 N 1.08 1.06 -0.12 3.15 4.20 -0.42 -2.54 115.11 121.53 3m7n h GLN 217 Ca 0.28 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 3m7n h GLN 217 Cb -0.03 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3m7n h GLN 217 CO -0.05 0.85 -0.14 0.00 -0.67 0.00 0.00 178.83 178.82 3m7n h ALA 218 N 1.28 1.55 -0.14 3.87 0.00 0.67 -1.80 119.26 124.70 3m7n h ALA 218 Ca 0.25 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3m7n h ALA 218 Cb 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3m7n h ALA 218 CO -0.02 0.33 -0.09 0.82 0.00 0.00 0.00 179.25 180.28 3m7n h ILE 219 N 0.18 1.33 -0.45 0.00 2.04 -1.00 -0.74 117.51 118.87 3m7n h ILE 219 Ca 0.04 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.77 3m7n h ILE 219 Cb 0.36 1.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 3m7n h ILE 219 CO 0.02 0.34 0.18 -0.33 0.00 0.00 0.00 178.15 178.37 3m7n h GLU 220 N -0.06 0.36 -0.83 2.37 4.39 -1.31 0.03 114.58 119.53 3m7n h GLU 220 Ca 0.03 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3m7n h GLU 220 Cb 0.58 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 3m7n h GLU 220 CO 0.03 0.24 0.55 1.25 -1.16 0.00 0.00 179.01 179.91 3m7n h LEU 221 N 0.37 0.93 -0.30 1.33 6.46 -1.22 -2.67 115.31 120.21 3m7n h LEU 221 Ca 0.21 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.84 3m7n h LEU 221 Cb 0.18 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 3m7n h LEU 221 CO -0.19 0.66 -0.24 0.00 -0.62 0.00 0.00 178.44 178.05 3m7n h ALA 222 N 1.49 0.43 -0.41 1.25 0.00 -0.15 -3.00 119.26 118.86 3m7n h ALA 222 Ca 0.32 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3m7n h ALA 222 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3m7n h ALA 222 CO -0.08 0.40 0.12 0.87 0.00 0.00 0.00 179.25 180.56 3m7n h LYS 223 N 0.43 0.59 -0.27 0.00 1.57 -0.71 0.37 116.57 118.55 3m7n h LYS 223 Ca 0.05 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3m7n h LYS 223 Cb 0.79 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3m7n h LYS 223 CO 0.06 0.52 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.16 3m7n h LYS 224 N 0.58 0.54 -0.61 3.15 3.64 -1.43 -1.55 116.57 120.88 3m7n h LYS 224 Ca 0.14 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3m7n h LYS 224 Cb 0.18 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3m7n h LYS 224 CO -0.01 0.76 0.39 0.78 -2.27 0.00 0.00 179.45 179.10 3m7n h GLY 225 N 0.28 0.87 0.80 5.01 0.00 -1.34 -2.82 103.07 105.88 3m7n h GLY 225 Ca 0.07 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.10 3m7n h GLY 225 CO 0.03 0.28 -0.10 0.00 0.00 0.00 0.00 176.54 176.76 3m7n h ALA 226 N 1.24 -0.14 -0.68 3.60 0.00 -0.67 -0.87 119.26 121.75 3m7n h ALA 226 Ca 0.23 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.24 3m7n h ALA 226 Cb -0.04 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 3m7n h ALA 226 CO -0.07 -0.60 0.29 -0.07 0.00 0.00 0.00 179.25 178.80 3m7n h LEU 227 N -0.18 0.33 -0.63 0.00 3.38 -1.25 0.56 115.31 117.51 3m7n h LEU 227 Ca 0.02 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3m7n h LEU 227 Cb 0.21 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3m7n h LEU 227 CO -0.07 0.18 0.38 1.56 0.09 0.00 0.00 178.44 180.58 3m7n h GLN 228 N 0.49 0.72 -0.33 1.13 4.20 -1.15 -2.36 115.11 117.82 3m7n h GLN 228 Ca 0.34 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.88 3m7n h GLN 228 Cb 0.42 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3m7n h GLN 228 CO -0.31 0.48 -0.32 0.82 -0.67 0.00 0.00 178.83 178.82 3m7n h ILE 229 N 0.74 1.29 -0.93 2.54 2.04 0.39 -2.89 117.51 120.70 3m7n h ILE 229 Ca 0.26 -1.49 0.12 0.00 1.00 0.00 0.00 64.86 64.75 3m7n h ILE 229 Cb 0.05 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 3m7n h ILE 229 CO -0.12 0.49 0.59 0.22 0.00 0.00 0.00 178.15 179.33 3m7n h TYR 230 N 0.57 0.96 -0.58 1.37 3.20 0.32 -0.76 116.97 122.05 3m7n h TYR 230 Ca 0.05 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3m7n h TYR 230 Cb 0.90 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3m7n h TYR 230 CO 0.07 0.39 0.05 1.49 -1.64 0.00 0.00 178.16 178.52 3m7n h GLU 231 N 0.85 1.00 -0.77 1.82 4.57 -1.22 -0.32 114.58 120.50 3m7n h GLU 231 Ca 0.45 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 3m7n h GLU 231 Cb 0.55 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 3m7n h GLU 231 CO -0.22 0.97 0.41 0.52 -1.18 0.00 0.00 179.01 179.51 3m7n h MET 232 N 0.89 1.08 -0.76 1.92 2.86 -1.12 -0.44 114.93 119.38 3m7n h MET 232 Ca 0.17 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3m7n h MET 232 Cb 0.48 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 3m7n h MET 232 CO 0.02 0.80 0.44 1.96 1.06 0.00 0.00 176.91 181.20 3m7n h GLN 233 N 1.08 1.03 -0.21 1.72 4.20 -0.61 -2.01 115.11 120.31 3m7n h GLN 233 Ca 0.27 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 3m7n h GLN 233 Cb 0.05 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3m7n h GLN 233 CO -0.04 0.74 0.08 -0.09 -0.67 0.00 0.00 178.83 178.85 3m7n h ARG 234 N 1.04 0.31 -0.81 1.46 2.43 -0.20 -1.95 114.38 116.66 3m7n h ARG 234 Ca 0.27 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3m7n h ARG 234 Cb -0.02 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 3m7n h ARG 234 CO -0.05 0.38 0.54 0.93 -1.51 0.00 0.00 179.97 180.26 3m7n h GLU 235 N 0.18 1.07 -0.80 0.20 4.39 -0.89 0.13 114.58 118.86 3m7n h GLU 235 Ca 0.07 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.78 3m7n h GLU 235 Cb 0.18 -0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 28.53 3m7n h GLU 235 CO -0.01 0.71 0.47 0.00 -1.16 0.00 0.00 179.01 179.02 3m7n h ALA 236 N 1.30 1.11 -0.16 3.43 0.00 -1.11 0.18 119.26 124.00 3m7n h ALA 236 Ca 0.30 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 3m7n h ALA 236 Cb -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3m7n h ALA 236 CO -0.06 0.15 -0.49 0.82 0.00 0.00 0.00 179.25 179.66 3m7n h ILE 237 N 0.83 1.33 -0.47 0.00 1.08 -0.48 -2.61 117.51 117.18 3m7n h ILE 237 Ca 0.37 -1.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.10 3m7n h ILE 237 Cb 0.25 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 3m7n h ILE 237 CO -0.20 0.53 0.24 0.25 -0.69 0.00 0.00 178.15 178.27 3m7n h LEU 238 N 0.35 0.60 -0.13 1.44 6.46 0.35 -0.54 115.31 123.84 3m7n h LEU 238 Ca 0.02 -0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 3m7n h LEU 238 Cb 0.99 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 3m7n h LEU 238 CO 0.09 0.55 0.03 0.03 -0.62 0.00 0.00 178.44 178.51 3m7n h ARG 239 N 0.62 0.08 -0.79 1.25 3.08 -0.59 -1.73 114.38 116.30 3m7n h ARG 239 Ca 0.16 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.33 3m7n h ARG 239 Cb 0.09 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.04 3m7n h ARG 239 CO -0.02 0.05 0.39 -0.09 -1.07 0.00 0.00 179.97 179.23 3m7n h ARG 240 N 0.08 0.58 -0.91 0.04 9.65 -1.12 0.13 114.38 122.83 3m7n h ARG 240 Ca 0.06 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 3m7n h ARG 240 Cb 0.05 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 3m7n h ARG 240 CO -0.07 0.38 0.55 -0.92 2.80 0.00 0.00 179.97 182.71 3m7n h TYR 241 N 0.60 1.20 -0.51 2.20 3.20 -0.68 0.18 116.97 123.17 3m7n h TYR 241 Ca 0.42 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.16 3m7n h TYR 241 Cb 0.54 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3m7n h TYR 241 CO -0.11 0.80 -0.15 0.82 -1.64 0.00 0.00 178.16 177.88 3m7n h ILE 242 N 1.26 1.27 -0.47 1.81 2.04 -0.33 -2.95 117.51 120.14 3m7n h ILE 242 Ca 0.33 -1.30 -0.08 0.00 1.00 0.00 0.00 64.86 64.80 3m7n h ILE 242 Cb -0.05 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3m7n h ILE 242 CO -0.06 0.45 -0.05 -0.33 0.00 0.00 0.00 178.15 178.16 3m7n h GLU 243 N 0.87 0.81 -0.00 2.37 5.08 0.09 0.18 114.58 123.98 3m7n h GLU 243 Ca 0.13 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 3m7n h GLU 243 Cb 0.71 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3m7n h GLU 243 CO 0.05 0.85 -0.65 -0.39 -1.00 0.00 0.00 179.01 177.88 3m7n h VAL 244 N 0.75 1.46 -0.10 3.13 -1.51 -0.95 -0.28 116.25 118.76 3m7n h VAL 244 Ca 0.14 -2.21 -0.05 0.00 -1.23 0.00 0.00 66.70 63.34 3m7n h VAL 244 Cb 0.53 2.19 -0.00 0.00 -2.13 0.00 0.00 31.29 31.88 3m7n h VAL 244 CO 0.03 0.63 -0.15 1.23 -1.23 0.00 0.00 177.57 178.09 3m7n h GLY 245 N 1.92 0.30 0.52 5.19 0.00 -1.33 -2.60 103.07 107.06 3m7n h GLY 245 Ca -0.01 -0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.06 3m7n h GLY 245 CO 0.09 0.30 0.19 0.83 0.00 0.00 0.00 176.54 177.94 3m7n h GLU 246 N -0.16 0.36 -0.60 4.80 5.08 -0.88 -1.71 114.58 121.47 3m7n h GLU 246 Ca 0.01 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3m7n h GLU 246 Cb 0.70 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.78 3m7n h GLU 246 CO 0.03 0.24 -0.56 0.93 -1.00 0.00 0.00 179.01 178.65 3m7n h GLU 247 N 0.38 -0.25 -0.25 2.33 5.08 -0.98 -2.34 114.58 118.54 3m7n h GLU 247 Ca 0.25 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 3m7n h GLU 247 Cb 0.27 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 3m7n h GLU 247 CO -0.25 -0.16 -0.10 0.52 -1.00 0.00 0.00 179.01 178.01 3m7n h MET 248 N -0.26 -0.06 0.00 2.33 2.86 -1.02 -0.69 114.93 118.09 3m7n h MET 248 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3m7n h MET 248 Cb 0.52 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3m7n h MET 248 CO -0.70 -0.04 0.26 -0.25 1.06 0.00 0.00 176.91 177.24 3m7n n ASP 249 N -5.27 0.15 0.00 1.22 8.00 -0.69 -5.13 116.55 114.83 3m7n n ASP 249 Ca -0.01 0.40 0.10 0.00 0.71 0.00 0.00 54.79 55.99 3m7n n ASP 249 Cb 0.19 -0.38 0.59 0.00 -0.02 0.00 0.00 41.12 41.50 3m7n n ASP 249 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02