#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr5 n SER 5 N 0.00 1.43 -3.91 1.61 7.64 -1.26 -4.74 113.62 114.39 1mr5 n SER 5 Ca 0.00 1.16 -0.10 0.00 1.01 0.00 0.00 58.87 60.95 1mr5 n SER 5 Cb 0.00 -1.27 -0.09 0.00 -1.01 0.00 0.00 64.21 61.84 1mr5 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1mr5 s SER 6 N -0.26 0.15 0.07 6.43 1.04 -1.07 -4.98 113.70 115.08 1mr5 s SER 6 Ca 0.65 -0.52 -0.05 0.00 0.48 0.00 0.00 55.95 56.51 1mr5 s SER 6 Cb -0.76 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.59 1mr5 s SER 6 CO 0.56 -0.54 0.10 0.00 0.98 0.00 0.00 173.24 174.33 1mr5 s ARG 7 N -2.73 0.75 0.04 4.02 1.70 -1.26 -0.09 118.95 121.38 1mr5 s ARG 7 Ca -0.04 -1.08 0.04 0.00 -0.47 0.00 0.00 55.73 54.18 1mr5 s ARG 7 Cb -0.00 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1mr5 s ARG 7 CO -0.05 -0.20 -0.12 0.14 -1.08 0.00 0.00 175.30 173.99 1mr5 s VAL 8 N -3.89 0.93 -0.55 4.99 -7.23 -1.06 -4.98 120.40 108.60 1mr5 s VAL 8 Ca 0.06 -0.98 -0.28 0.00 -1.81 0.00 0.00 61.98 58.97 1mr5 s VAL 8 Cb 0.06 -0.87 0.02 0.00 0.56 0.00 0.00 36.38 36.15 1mr5 s VAL 8 CO -0.10 -0.09 1.35 -0.70 -0.31 0.00 0.00 175.10 175.25 1mr5 s GLU 9 N -1.20 3.39 -0.21 4.82 2.12 -1.26 -1.43 118.70 124.93 1mr5 s GLU 9 Ca -0.01 0.44 -0.21 0.00 0.36 0.00 0.00 54.97 55.55 1mr5 s GLU 9 Cb -0.08 -4.08 -0.19 0.00 0.26 0.00 0.00 34.13 30.03 1mr5 s GLU 9 CO 0.01 -1.83 0.21 -0.11 -0.54 0.00 0.00 175.26 173.00 1mr5 n LEU 10 N 9.18 1.90 -4.37 2.70 7.94 -0.75 -4.58 117.00 129.03 1mr5 n LEU 10 Ca 0.12 0.41 -0.44 0.00 -1.11 0.00 0.00 56.01 54.98 1mr5 n LEU 10 Cb 0.49 -0.97 -0.07 0.00 0.53 0.00 0.00 43.42 43.39 1mr5 n LEU 10 CO 0.71 0.32 0.03 -0.36 -1.11 0.00 0.00 177.39 176.98 1mr5 s PHE 11 N -2.38 3.25 -0.40 1.96 0.08 -0.09 -4.98 117.98 115.43 1mr5 s PHE 11 Ca -0.29 -1.03 -0.17 0.00 0.12 0.00 0.00 56.93 55.56 1mr5 s PHE 11 Cb 0.06 -3.24 0.01 0.00 -0.57 0.00 0.00 43.02 39.29 1mr5 s PHE 11 CO 0.60 -0.83 0.41 0.15 -0.10 0.00 0.00 175.22 175.45 1mr5 s LYS 12 N 1.62 3.21 0.46 0.44 1.02 -1.26 -0.63 119.74 124.60 1mr5 s LYS 12 Ca 0.04 -0.68 -0.23 0.00 0.02 0.00 0.00 55.97 55.12 1mr5 s LYS 12 Cb -0.25 -3.93 -0.09 0.00 -0.52 0.00 0.00 37.83 33.04 1mr5 s LYS 12 CO 0.06 -0.77 1.03 2.89 -0.92 0.00 0.00 175.35 177.64 1mr5 n ARG 13 N 5.53 1.34 -2.96 1.68 1.85 -1.26 -1.15 116.66 121.68 1mr5 n ARG 13 Ca -0.08 0.48 -0.14 0.00 -1.00 0.00 0.00 57.85 57.12 1mr5 n ARG 13 Cb 0.48 -2.11 -0.01 0.00 -1.05 0.00 0.00 32.46 29.76 1mr5 n ARG 13 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1mr5 n GLN 14 N -0.10 -2.61 0.18 2.89 6.02 -0.14 -4.64 117.38 118.97 1mr5 n GLN 14 Ca 0.10 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1mr5 n GLN 14 Cb 0.41 -4.83 0.00 0.00 1.02 0.00 0.00 30.24 26.84 1mr5 n GLN 14 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1mr5 n SER 15 N -1.87 -1.83 -4.71 1.08 2.88 -0.62 -4.88 113.62 103.66 1mr5 n SER 15 Ca -0.02 0.64 -0.42 0.00 -1.33 0.00 0.00 58.87 57.74 1mr5 n SER 15 Cb 0.53 1.84 -0.01 0.00 -0.75 0.00 0.00 64.21 65.82 1mr5 n SER 15 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1mr5 n SER 16 N -3.41 2.98 -4.71 -3.46 7.64 -0.30 -4.73 113.62 107.63 1mr5 n SER 16 Ca 0.00 1.21 -0.23 0.00 1.01 0.00 0.00 58.87 60.86 1mr5 n SER 16 Cb 0.00 -1.51 -0.06 0.00 -1.01 0.00 0.00 64.21 61.63 1mr5 n SER 16 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1mr5 s LYS 17 N -1.86 2.45 0.06 1.43 1.02 -1.26 -2.63 119.74 118.94 1mr5 s LYS 17 Ca 0.55 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 55.17 1mr5 s LYS 17 Cb -0.55 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 1mr5 s LYS 17 CO 0.62 0.28 -0.06 0.14 -0.92 0.00 0.00 175.35 175.42 1mr5 s VAL 18 N -2.32 0.47 -0.89 3.17 -7.23 -0.79 -4.86 120.40 107.95 1mr5 s VAL 18 Ca 0.34 -1.52 -0.25 0.00 -1.81 0.00 0.00 61.98 58.75 1mr5 s VAL 18 Cb -0.05 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.75 1mr5 s VAL 18 CO 0.22 -0.70 1.67 -2.16 -0.31 0.00 0.00 175.10 173.82 1mr5 s PRO 19 N -2.85 3.02 -0.41 4.82 0.04 -1.26 -0.89 135.00 137.46 1mr5 s PRO 19 Ca 0.01 -0.47 -0.29 0.00 0.04 0.00 0.00 61.00 60.29 1mr5 s PRO 19 Cb -0.01 -4.98 0.01 0.00 0.04 0.00 0.00 34.50 29.57 1mr5 s PRO 19 CO -0.04 -2.72 1.34 0.12 0.04 0.00 0.00 177.00 175.75 1mr5 s PHE 20 N 7.56 2.52 -0.22 0.56 5.36 -0.01 -4.67 117.98 129.07 1mr5 s PHE 20 Ca 0.57 0.70 -0.08 0.00 -0.96 0.00 0.00 56.93 57.16 1mr5 s PHE 20 Cb -0.05 -4.29 -0.04 0.00 -0.34 0.00 0.00 43.02 38.30 1mr5 s PHE 20 CO 0.01 -1.80 0.08 -2.00 -1.46 0.00 0.00 175.22 170.04 1mr5 s GLU 21 N 4.76 3.83 -0.02 10.12 2.12 -1.26 -2.23 118.70 136.02 1mr5 s GLU 21 Ca 0.58 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.51 1mr5 s GLU 21 Cb -0.13 -3.31 0.03 0.00 0.26 0.00 0.00 34.13 30.98 1mr5 s GLU 21 CO 0.31 0.02 0.02 0.21 -0.54 0.00 0.00 175.26 175.29 1mr5 s LYS 22 N 1.06 0.01 -1.48 4.30 2.20 -0.24 -4.92 119.74 120.67 1mr5 s LYS 22 Ca 0.05 0.16 -0.06 0.00 -0.36 0.00 0.00 55.97 55.75 1mr5 s LYS 22 Cb -0.14 -0.26 0.05 0.00 -1.51 0.00 0.00 37.83 35.97 1mr5 s LYS 22 CO 0.03 -0.15 0.60 -0.25 -0.36 0.00 0.00 175.35 175.23 1mr5 n ASP 23 N 4.08 -1.64 0.00 1.43 10.43 -1.26 -1.61 116.55 127.98 1mr5 n ASP 23 Ca -0.26 -0.96 0.00 0.00 2.57 0.00 0.00 54.79 56.14 1mr5 n ASP 23 Cb 0.51 -3.20 0.00 0.00 1.84 0.00 0.00 41.12 40.27 1mr5 n ASP 23 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1mr5 n GLY 24 N -1.77 1.06 3.27 0.44 0.00 -1.26 -5.03 105.19 101.90 1mr5 n GLY 24 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1mr5 n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mr5 s LYS 25 N -0.22 2.51 -0.11 1.61 2.20 -0.63 -5.11 119.74 119.99 1mr5 s LYS 25 Ca 0.00 -0.90 0.03 0.00 -0.36 0.00 0.00 55.97 54.74 1mr5 s LYS 25 Cb 0.00 -2.14 -0.01 0.00 -1.51 0.00 0.00 37.83 34.17 1mr5 s LYS 25 CO 0.00 0.39 -0.20 0.54 -0.36 0.00 0.00 175.35 175.72 1mr5 s VAL 26 N -0.18 2.48 0.01 4.02 0.11 -1.26 -1.08 120.40 124.49 1mr5 s VAL 26 Ca -0.03 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 1mr5 s VAL 26 Cb -0.14 -1.98 -0.01 0.00 -1.53 0.00 0.00 36.38 32.72 1mr5 s VAL 26 CO 0.03 0.55 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.37 1mr5 s THR 27 N 0.27 0.72 0.01 5.04 2.01 -0.95 -4.98 115.64 117.77 1mr5 s THR 27 Ca -0.14 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 1mr5 s THR 27 Cb -0.17 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1mr5 s THR 27 CO 0.07 0.06 1.35 -1.61 -0.69 0.00 0.00 174.62 173.80 1mr5 s GLU 28 N -0.59 4.31 -0.08 4.92 0.41 -1.26 -0.83 118.70 125.58 1mr5 s GLU 28 Ca 0.01 1.91 0.01 0.00 -0.41 0.00 0.00 54.97 56.49 1mr5 s GLU 28 Cb -0.05 -3.50 0.02 0.00 -1.78 0.00 0.00 34.13 28.81 1mr5 s GLU 28 CO 0.00 -0.50 -0.09 0.50 -0.49 0.00 0.00 175.26 174.68 1mr5 s ARG 29 N 2.06 1.53 0.48 1.61 3.52 -0.07 -4.89 118.95 123.19 1mr5 s ARG 29 Ca 0.62 -0.31 -0.24 0.00 -0.13 0.00 0.00 55.73 55.68 1mr5 s ARG 29 Cb -0.31 -1.43 -0.07 0.00 -1.56 0.00 0.00 34.95 31.59 1mr5 s ARG 29 CO 0.27 -0.12 1.35 0.54 -0.81 0.00 0.00 175.30 176.53 1mr5 s VAL 30 N 1.16 2.29 -0.11 7.11 0.11 -1.26 -1.89 120.40 127.82 1mr5 s VAL 30 Ca -0.05 0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 1mr5 s VAL 30 Cb -0.14 -3.13 -0.01 0.00 -1.53 0.00 0.00 36.38 31.57 1mr5 s VAL 30 CO -0.02 0.02 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.88 1mr5 s VAL 31 N -1.29 2.41 0.04 2.04 1.01 -1.08 -4.85 120.40 118.69 1mr5 s VAL 31 Ca 0.65 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1mr5 s VAL 31 Cb -0.40 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1mr5 s VAL 31 CO 0.49 0.55 1.20 -0.74 0.00 0.00 0.00 175.10 176.60 1mr5 h HIS 32 N 6.70 -0.59 -3.95 5.22 2.76 -0.38 -0.34 115.15 124.57 1mr5 h HIS 32 Ca -0.21 0.02 -0.25 0.00 -2.20 0.00 0.00 60.37 57.73 1mr5 h HIS 32 Cb 1.23 0.26 -0.23 0.00 1.55 0.00 0.00 27.41 30.23 1mr5 h HIS 32 CO 0.48 -0.21 -0.73 -1.12 -1.30 0.00 0.00 177.93 175.05 1mr5 s SER 33 N -3.36 0.60 -0.06 3.26 0.01 -0.66 -1.33 113.70 112.16 1mr5 s SER 33 Ca -0.06 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 56.81 1mr5 s SER 33 Cb 0.02 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.29 1mr5 s SER 33 CO 0.23 -0.18 -0.21 -0.36 0.41 0.00 0.00 173.24 173.12 1mr5 s PHE 34 N -1.14 2.13 0.34 2.43 0.40 0.04 0.75 117.98 122.92 1mr5 s PHE 34 Ca -0.09 -0.66 0.02 0.00 -0.60 0.00 0.00 56.93 55.60 1mr5 s PHE 34 Cb -0.08 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 1mr5 s PHE 34 CO -0.00 -0.22 0.39 1.03 0.70 0.00 0.00 175.22 177.12 1mr5 s ARG 35 N -0.01 1.87 -1.07 0.44 0.52 -1.11 -4.06 118.95 115.54 1mr5 s ARG 35 Ca -0.06 -1.90 -0.04 0.00 -0.52 0.00 0.00 55.73 53.21 1mr5 s ARG 35 Cb -0.13 0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.68 1mr5 s ARG 35 CO 0.04 -0.74 0.92 1.28 0.02 0.00 0.00 175.30 176.82 1mr5 n LEU 36 N -0.60 -5.15 -4.77 2.53 7.99 -1.26 -1.13 117.00 114.61 1mr5 n LEU 36 Ca 0.04 -0.67 -0.38 0.00 -0.01 0.00 0.00 56.01 54.99 1mr5 n LEU 36 Cb 0.62 -3.14 -0.01 0.00 -0.11 0.00 0.00 43.42 40.78 1mr5 n LEU 36 CO 0.31 0.17 0.88 -2.16 -1.51 0.00 0.00 177.39 175.08 1mr5 s PRO 37 N -4.63 3.86 -0.05 3.23 0.04 -1.26 -4.18 135.00 132.01 1mr5 s PRO 37 Ca 0.33 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 1mr5 s PRO 37 Cb -0.04 -2.58 0.03 0.00 0.04 0.00 0.00 34.50 31.95 1mr5 s PRO 37 CO 0.72 -0.51 0.09 0.00 0.04 0.00 0.00 177.00 177.34 1mr5 s ALA 38 N -1.41 0.11 -0.16 8.56 0.00 -0.35 -4.44 121.76 124.08 1mr5 s ALA 38 Ca 0.60 0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 1mr5 s ALA 38 Cb -0.33 -0.64 0.04 0.00 0.00 0.00 0.00 23.12 22.19 1mr5 s ALA 38 CO 0.41 -0.48 -0.07 -1.17 0.00 0.00 0.00 175.76 174.45 1mr5 s LEU 39 N 2.12 1.64 0.00 0.00 2.96 -1.26 -0.80 118.68 123.34 1mr5 s LEU 39 Ca 0.03 -0.62 0.05 0.00 -0.22 0.00 0.00 54.13 53.37 1mr5 s LEU 39 Cb -0.12 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 1mr5 s LEU 39 CO -0.04 -0.16 0.19 1.33 -1.32 0.00 0.00 176.35 176.35 1mr5 n VAL 40 N 4.85 0.00 -5.05 1.68 0.24 -0.20 -4.61 118.33 115.24 1mr5 n VAL 40 Ca -0.13 -2.26 -0.30 0.00 -2.04 0.00 0.00 64.34 59.62 1mr5 n VAL 40 Cb 0.48 0.94 -0.17 0.00 -1.47 0.00 0.00 33.84 33.62 1mr5 n VAL 40 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1mr5 s ASN 41 N -3.29 2.71 -0.24 -1.34 2.47 -1.26 -2.09 114.94 111.90 1mr5 s ASN 41 Ca 0.27 -0.48 -0.00 0.00 0.42 0.00 0.00 52.86 53.06 1mr5 s ASN 41 Cb 0.01 -1.16 0.07 0.00 -1.45 0.00 0.00 41.25 38.72 1mr5 s ASN 41 CO 0.19 0.14 -0.00 -0.69 -3.72 0.00 0.00 177.10 173.02 1mr5 s VAL 42 N 0.35 1.20 -1.16 -5.21 1.01 -0.29 -4.87 120.40 111.43 1mr5 s VAL 42 Ca -0.15 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 60.45 1mr5 s VAL 42 Cb -0.17 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1mr5 s VAL 42 CO 0.07 -0.25 0.46 -0.67 0.00 0.00 0.00 175.10 174.71 1mr5 n ASP 43 N 4.78 -2.55 0.00 3.32 2.03 -1.26 0.48 116.55 123.34 1mr5 n ASP 43 Ca -0.09 -1.17 0.00 0.00 0.52 0.00 0.00 54.79 54.05 1mr5 n ASP 43 Cb 0.44 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1mr5 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mr5 n GLY 44 N -2.10 1.75 3.72 0.27 0.00 -1.26 -4.99 105.19 102.59 1mr5 n GLY 44 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1mr5 n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mr5 s VAL 45 N -2.79 5.09 -0.12 1.61 1.01 0.18 -4.77 120.40 120.61 1mr5 s VAL 45 Ca 0.00 1.23 -0.19 0.00 0.00 0.00 0.00 61.98 63.02 1mr5 s VAL 45 Cb 0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1mr5 s VAL 45 CO 0.00 0.30 0.50 -0.32 0.00 0.00 0.00 175.10 175.59 1mr5 s MET 46 N 0.61 4.34 -0.11 2.72 1.75 0.14 -1.13 119.30 127.62 1mr5 s MET 46 Ca 0.32 0.50 0.00 0.00 -1.25 0.00 0.00 55.69 55.26 1mr5 s MET 46 Cb -0.17 -3.45 0.02 0.00 2.84 0.00 0.00 34.83 34.08 1mr5 s MET 46 CO 0.15 0.13 -0.10 0.08 -0.65 0.00 0.00 175.02 174.62 1mr5 s VAL 47 N 0.71 1.20 -0.23 10.11 1.01 -0.89 -0.11 120.40 132.21 1mr5 s VAL 47 Ca 0.27 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1mr5 s VAL 47 Cb -0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1mr5 s VAL 47 CO 0.11 0.39 -0.02 0.00 0.00 0.00 0.00 175.10 175.58 1mr5 s ALA 48 N 1.45 2.89 -0.02 5.51 0.00 0.98 -1.03 121.76 131.53 1mr5 s ALA 48 Ca 0.01 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.86 1mr5 s ALA 48 Cb -0.13 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1mr5 s ALA 48 CO -0.06 -0.45 -0.18 0.42 0.00 0.00 0.00 175.76 175.49 1mr5 s ILE 49 N 1.51 2.76 0.31 0.00 -1.09 0.02 0.58 121.20 125.29 1mr5 s ILE 49 Ca 0.06 -0.94 -0.18 0.00 -2.23 0.00 0.00 60.65 57.35 1mr5 s ILE 49 Cb -0.14 -2.08 0.06 0.00 -1.58 0.00 0.00 42.46 38.72 1mr5 s ILE 49 CO -0.02 0.51 0.88 0.00 -1.23 0.00 0.00 174.94 175.08 1mr5 s ALA 50 N -0.76 -1.06 0.21 9.38 0.00 -0.45 -1.21 121.76 127.86 1mr5 s ALA 50 Ca 0.12 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1mr5 s ALA 50 Cb -0.10 0.71 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 1mr5 s ALA 50 CO 0.02 -1.02 0.89 -0.51 0.00 0.00 0.00 175.76 175.14 1mr5 s ASP 51 N -3.18 7.56 -0.31 0.00 1.01 -0.28 -0.88 116.67 120.59 1mr5 s ASP 51 Ca 0.17 1.85 -0.05 0.00 0.71 0.00 0.00 52.55 55.23 1mr5 s ASP 51 Cb -0.04 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.35 1mr5 s ASP 51 CO 0.09 0.16 0.07 0.00 0.21 0.00 0.00 175.17 175.70 1mr5 s ALA 52 N -1.10 2.97 -0.68 5.23 0.00 -0.55 -2.74 121.76 124.89 1mr5 s ALA 52 Ca 0.40 -1.66 -0.09 0.00 0.00 0.00 0.00 51.96 50.60 1mr5 s ALA 52 Cb -0.25 -2.13 0.18 0.00 0.00 0.00 0.00 23.12 20.91 1mr5 s ALA 52 CO 0.30 -1.20 0.56 1.03 0.00 0.00 0.00 175.76 176.46 1mr5 s ARG 53 N 1.39 3.01 0.15 0.00 0.52 0.23 -2.28 118.95 121.97 1mr5 s ARG 53 Ca -0.01 -2.32 -0.25 0.00 -0.52 0.00 0.00 55.73 52.63 1mr5 s ARG 53 Cb -0.19 -4.09 0.01 0.00 0.52 0.00 0.00 34.95 31.20 1mr5 s ARG 53 CO 0.01 -1.24 1.60 1.88 0.02 0.00 0.00 175.30 177.58 1mr5 h TYR 54 N 7.71 -0.98 0.00 -0.53 -1.99 -1.76 -1.71 116.97 117.71 1mr5 h TYR 54 Ca -0.02 0.05 -0.36 0.00 2.00 0.00 0.00 58.73 60.40 1mr5 h TYR 54 Cb 1.02 0.47 -0.07 0.00 2.00 0.00 0.00 36.73 40.15 1mr5 h TYR 54 CO 0.83 -0.41 -2.37 0.39 -0.00 0.00 0.00 178.16 176.60 1mr5 n GLU 55 N -5.42 0.75 -3.62 4.88 -0.58 -1.26 -0.25 120.64 115.14 1mr5 n GLU 55 Ca -0.01 0.03 -0.10 0.00 -0.42 0.00 0.00 57.16 56.65 1mr5 n GLU 55 Cb 0.34 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 1mr5 n GLU 55 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1mr5 s THR 56 N -2.48 0.03 -1.22 2.62 -1.32 -1.26 -4.82 115.64 107.19 1mr5 s THR 56 Ca -0.15 -0.49 0.27 0.00 -1.21 0.00 0.00 61.69 60.11 1mr5 s THR 56 Cb 0.06 -1.32 0.36 0.00 -1.51 0.00 0.00 72.50 70.09 1mr5 s THR 56 CO 0.76 -0.12 1.91 -1.54 -2.21 0.00 0.00 174.62 173.42 1mr5 n SER 57 N -0.33 0.00 -4.71 8.08 3.41 -1.26 -4.68 113.62 114.13 1mr5 n SER 57 Ca -0.13 0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 1mr5 n SER 57 Cb 0.63 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1mr5 n SER 57 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1mr5 n PHE 58 N -1.39 2.36 -0.32 7.33 7.35 -1.26 -4.90 117.46 126.63 1mr5 n PHE 58 Ca 0.10 0.54 -0.03 0.00 -0.76 0.00 0.00 57.45 57.29 1mr5 n PHE 58 Cb 0.27 -2.43 0.08 0.00 0.35 0.00 0.00 39.48 37.75 1mr5 n PHE 58 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1mr5 h ASP 59 N 2.57 1.00 -3.06 -2.13 3.45 -2.03 -3.30 116.42 112.91 1mr5 h ASP 59 Ca -0.47 -0.03 -0.76 0.00 0.43 0.00 0.00 57.03 56.20 1mr5 h ASP 59 Cb 1.28 -0.25 -0.23 0.00 -0.56 0.00 0.00 39.33 39.57 1mr5 h ASP 59 CO 0.62 0.74 0.68 0.20 -1.57 0.00 0.00 179.24 179.91 1mr5 s ASN 60 N -6.01 7.03 0.18 6.45 -0.87 -1.26 -4.90 114.94 115.56 1mr5 s ASN 60 Ca -0.13 -3.00 -0.07 0.00 -1.57 0.00 0.00 52.86 48.10 1mr5 s ASN 60 Cb 0.16 -2.29 0.03 0.00 -0.02 0.00 0.00 41.25 39.13 1mr5 s ASN 60 CO 0.80 -0.59 0.35 -1.54 -2.57 0.00 0.00 177.10 173.55 1mr5 n SER 61 N 4.37 -1.02 -4.63 -1.22 3.41 -1.25 -4.79 113.62 108.50 1mr5 n SER 61 Ca 0.25 -1.71 -0.43 0.00 -0.26 0.00 0.00 58.87 56.73 1mr5 n SER 61 Cb 0.43 1.70 -0.02 0.00 -0.26 0.00 0.00 64.21 66.06 1mr5 n SER 61 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1mr5 s LEU 62 N 0.00 3.87 -0.03 1.04 2.96 -0.94 -4.30 118.68 121.28 1mr5 s LEU 62 Ca 0.07 1.18 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 1mr5 s LEU 62 Cb -0.02 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.15 1mr5 s LEU 62 CO 0.05 -1.09 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.35 1mr5 s ILE 63 N 4.39 0.31 0.45 6.68 1.01 -0.98 -2.74 121.20 130.32 1mr5 s ILE 63 Ca 0.56 0.00 0.07 0.00 0.00 0.00 0.00 60.65 61.28 1mr5 s ILE 63 Cb -0.16 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 1mr5 s ILE 63 CO 0.23 0.17 0.36 -1.81 0.00 0.00 0.00 174.94 173.89 1mr5 s ASP 64 N 0.95 4.83 -0.27 3.58 1.01 -0.96 -2.39 116.67 123.41 1mr5 s ASP 64 Ca -0.11 -0.94 -0.08 0.00 0.71 0.00 0.00 52.55 52.13 1mr5 s ASP 64 Cb -0.14 -0.29 -0.03 0.00 1.01 0.00 0.00 42.92 43.47 1mr5 s ASP 64 CO -0.01 -0.76 0.10 -0.89 0.21 0.00 0.00 175.17 173.82 1mr5 s THR 65 N -2.58 4.51 0.11 -1.27 2.01 -0.06 -1.48 115.64 116.89 1mr5 s THR 65 Ca 0.44 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 1mr5 s THR 65 Cb -0.02 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 1mr5 s THR 65 CO 0.26 0.27 0.33 0.54 -0.69 0.00 0.00 174.62 175.33 1mr5 s VAL 66 N 1.64 5.22 -0.04 3.82 0.11 -0.06 -0.24 120.40 130.86 1mr5 s VAL 66 Ca 0.06 -0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.09 1mr5 s VAL 66 Cb -0.16 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 1mr5 s VAL 66 CO 0.05 0.08 -0.11 0.00 -3.33 0.00 0.00 175.10 171.79 1mr5 s ALA 67 N -1.60 1.09 0.08 1.54 0.00 0.55 -1.34 121.76 122.09 1mr5 s ALA 67 Ca 0.39 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.02 1mr5 s ALA 67 Cb -0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1mr5 s ALA 67 CO 0.25 0.16 -0.22 0.15 0.00 0.00 0.00 175.76 176.10 1mr5 s LYS 68 N 0.28 1.79 -0.02 0.00 1.02 0.20 -1.38 119.74 121.64 1mr5 s LYS 68 Ca -0.06 -1.14 -0.04 0.00 0.02 0.00 0.00 55.97 54.75 1mr5 s LYS 68 Cb -0.11 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1mr5 s LYS 68 CO 0.01 0.50 0.09 1.52 -0.92 0.00 0.00 175.35 176.56 1mr5 s TYR 69 N -0.97 -0.00 -0.01 3.18 1.13 -0.70 -0.02 117.35 119.96 1mr5 s TYR 69 Ca 0.14 0.01 -0.01 0.00 -1.41 0.00 0.00 57.07 55.81 1mr5 s TYR 69 Cb -0.10 -0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.74 1mr5 s TYR 69 CO 0.06 -0.15 0.02 0.45 -2.51 0.00 0.00 175.55 173.42 1mr5 s SER 70 N -0.65 -0.00 0.00 -0.18 0.15 0.84 -0.49 113.70 113.36 1mr5 s SER 70 Ca -0.07 0.04 0.14 0.00 0.70 0.00 0.00 55.95 56.76 1mr5 s SER 70 Cb -0.04 0.02 0.27 0.00 -1.71 0.00 0.00 66.02 64.55 1mr5 s SER 70 CO 0.00 -0.03 1.16 1.33 1.20 0.00 0.00 173.24 176.90 1mr5 n VAL 71 N 3.33 0.56 -2.37 4.45 0.24 -1.26 0.23 118.33 123.52 1mr5 n VAL 71 Ca -0.16 -0.78 -0.29 0.00 -2.04 0.00 0.00 64.34 61.07 1mr5 n VAL 71 Cb 0.58 0.85 0.01 0.00 -1.47 0.00 0.00 33.84 33.80 1mr5 n VAL 71 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1mr5 n ASP 72 N 0.80 5.16 -3.22 -1.34 5.68 -1.26 -4.91 116.55 117.46 1mr5 n ASP 72 Ca 0.12 -3.74 -0.19 0.00 -0.50 0.00 0.00 54.79 50.48 1mr5 n ASP 72 Cb 0.42 -0.55 -0.01 0.00 -1.14 0.00 0.00 41.12 39.84 1mr5 n ASP 72 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1mr5 n ASP 73 N -0.50 -2.84 0.00 -1.12 10.43 -1.26 -2.09 116.55 119.16 1mr5 n ASP 73 Ca 0.42 -0.24 0.00 0.00 2.57 0.00 0.00 54.79 57.54 1mr5 n ASP 73 Cb 0.61 -2.42 0.00 0.00 1.84 0.00 0.00 41.12 41.16 1mr5 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1mr5 n GLY 74 N -0.96 0.69 0.12 0.44 0.00 -1.26 -4.95 105.19 99.28 1mr5 n GLY 74 Ca -0.01 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 1mr5 n GLY 74 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mr5 h GLU 75 N 1.48 0.37 -5.23 1.61 4.57 -1.84 -3.46 114.58 112.09 1mr5 h GLU 75 Ca 0.00 -0.64 -0.37 0.00 -1.18 0.00 0.00 59.36 57.17 1mr5 h GLU 75 Cb 0.00 0.24 -0.18 0.00 -0.16 0.00 0.00 28.75 28.65 1mr5 h GLU 75 CO 0.00 1.29 -0.75 0.95 -1.18 0.00 0.00 179.01 179.32 1mr5 s THR 76 N -2.63 1.17 0.03 0.32 -4.23 -1.26 -5.12 115.64 103.93 1mr5 s THR 76 Ca -0.07 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1mr5 s THR 76 Cb 0.06 -1.48 -0.02 0.00 1.34 0.00 0.00 72.50 72.40 1mr5 s THR 76 CO 0.90 -0.49 -0.04 0.26 -0.54 0.00 0.00 174.62 174.72 1mr5 s TRP 77 N -2.31 0.34 0.19 3.99 0.52 -1.26 -4.39 118.94 116.02 1mr5 s TRP 77 Ca 0.08 -0.59 0.03 0.00 0.02 0.00 0.00 56.10 55.65 1mr5 s TRP 77 Cb -0.04 -0.24 -0.03 0.00 -1.15 0.00 0.00 33.47 32.01 1mr5 s TRP 77 CO 0.02 -0.20 0.32 -1.21 0.02 0.00 0.00 176.95 175.90 1mr5 s GLU 78 N -1.75 3.44 -0.02 4.98 0.41 0.35 -4.90 118.70 121.22 1mr5 s GLU 78 Ca -0.13 -0.65 0.05 0.00 -0.41 0.00 0.00 54.97 53.83 1mr5 s GLU 78 Cb -0.08 -2.92 -0.01 0.00 -1.78 0.00 0.00 34.13 29.34 1mr5 s GLU 78 CO -0.02 0.47 -0.15 0.99 -0.49 0.00 0.00 175.26 176.06 1mr5 s THR 79 N -1.85 1.21 0.18 3.63 2.01 -1.26 -1.71 115.64 117.84 1mr5 s THR 79 Ca 0.35 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.52 1mr5 s THR 79 Cb -0.10 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.42 1mr5 s THR 79 CO 0.29 0.35 0.51 0.00 -0.69 0.00 0.00 174.62 175.08 1mr5 s GLN 80 N -0.26 1.32 -0.25 4.92 -2.07 -0.48 -4.81 119.66 118.03 1mr5 s GLN 80 Ca 0.04 -0.79 -0.10 0.00 -1.82 0.00 0.00 55.36 52.68 1mr5 s GLN 80 Cb -0.07 0.52 -0.05 0.00 -1.09 0.00 0.00 33.01 32.32 1mr5 s GLN 80 CO -0.00 -0.56 0.16 0.42 -1.32 0.00 0.00 175.29 173.99 1mr5 s ILE 81 N -3.85 5.21 -0.07 3.63 -1.09 -1.26 -0.33 121.20 123.44 1mr5 s ILE 81 Ca 0.07 0.13 -0.22 0.00 -2.23 0.00 0.00 60.65 58.41 1mr5 s ILE 81 Cb -0.01 -3.45 -0.30 0.00 -1.58 0.00 0.00 42.46 37.13 1mr5 s ILE 81 CO -0.05 0.31 0.80 0.00 -1.23 0.00 0.00 174.94 174.77 1mr5 h ALA 82 N 7.89 -0.03 -3.68 9.38 0.00 -0.90 -3.47 119.26 128.45 1mr5 h ALA 82 Ca -0.37 -0.76 -0.24 0.00 0.00 0.00 0.00 54.91 53.55 1mr5 h ALA 82 Cb 1.18 0.17 -0.29 0.00 0.00 0.00 0.00 17.79 18.85 1mr5 h ALA 82 CO 0.61 0.42 -0.71 0.42 0.00 0.00 0.00 179.25 179.99 1mr5 s ILE 83 N -2.41 -0.01 0.06 0.00 1.01 -1.01 -4.87 121.20 113.97 1mr5 s ILE 83 Ca -0.16 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1mr5 s ILE 83 Cb 0.01 -0.03 -0.04 0.00 0.01 0.00 0.00 42.46 42.41 1mr5 s ILE 83 CO 0.80 0.01 -0.14 -1.59 0.00 0.00 0.00 174.94 174.02 1mr5 s LYS 84 N 0.17 2.11 1.07 2.79 -2.85 -1.26 -0.88 119.74 120.89 1mr5 s LYS 84 Ca -0.01 -0.99 -0.16 0.00 -1.00 0.00 0.00 55.97 53.81 1mr5 s LYS 84 Cb -0.02 -2.26 0.23 0.00 -2.06 0.00 0.00 37.83 33.72 1mr5 s LYS 84 CO -0.00 0.53 1.13 0.54 0.10 0.00 0.00 175.35 177.65 1mr5 s ASN 85 N -1.76 2.06 0.00 0.03 6.03 -1.26 -4.91 114.94 115.13 1mr5 s ASN 85 Ca 0.17 0.79 0.18 0.00 -1.03 0.00 0.00 52.86 52.98 1mr5 s ASN 85 Cb -0.11 -1.18 0.85 0.00 -3.03 0.00 0.00 41.25 37.78 1mr5 s ASN 85 CO 0.09 -3.44 1.58 -1.54 -2.03 0.00 0.00 177.10 171.76 1mr5 n SER 86 N -4.32 0.00 -2.04 3.54 3.41 -1.26 -4.90 113.62 108.05 1mr5 n SER 86 Ca 0.10 0.30 -0.16 0.00 -0.26 0.00 0.00 58.87 58.85 1mr5 n SER 86 Cb 0.59 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1mr5 n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1mr5 n ARG 87 N -1.41 -1.75 0.13 4.33 3.00 -1.26 -4.87 116.66 114.83 1mr5 n ARG 87 Ca 0.06 0.82 -0.01 0.00 -0.01 0.00 0.00 57.85 58.72 1mr5 n ARG 87 Cb 0.19 -5.32 0.14 0.00 0.00 0.00 0.00 32.46 27.47 1mr5 n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1mr5 h ALA 88 N 0.81 0.85 -2.61 7.54 0.00 -1.90 -3.48 119.26 120.47 1mr5 h ALA 88 Ca -0.35 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.01 1mr5 h ALA 88 Cb 1.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1mr5 h ALA 88 CO 0.45 0.79 0.29 -1.13 0.00 0.00 0.00 179.25 179.66 1mr5 n SER 89 N -3.64 -1.61 -0.02 0.00 3.41 -1.26 -5.02 113.62 105.48 1mr5 n SER 89 Ca -0.01 -2.04 0.14 0.00 -0.26 0.00 0.00 58.87 56.71 1mr5 n SER 89 Cb 0.66 2.67 0.68 0.00 -0.26 0.00 0.00 64.21 67.96 1mr5 n SER 89 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1mr5 n SER 90 N -1.31 0.09 -0.63 4.04 3.41 -1.26 -1.62 113.62 116.33 1mr5 n SER 90 Ca -0.05 -0.04 0.06 0.00 -0.26 0.00 0.00 58.87 58.58 1mr5 n SER 90 Cb 0.45 -0.29 0.13 0.00 -0.26 0.00 0.00 64.21 64.25 1mr5 n SER 90 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1mr5 n VAL 91 N -1.30 0.71 -1.74 -3.33 0.24 -1.26 -2.22 118.33 109.42 1mr5 n VAL 91 Ca 0.12 -0.85 -0.42 0.00 -2.04 0.00 0.00 64.34 61.15 1mr5 n VAL 91 Cb 0.28 0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 33.36 1mr5 n VAL 91 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1mr5 n SER 92 N 0.63 3.50 -3.62 -1.34 7.64 -0.64 -4.08 113.62 115.70 1mr5 n SER 92 Ca 0.11 1.20 -0.12 0.00 1.01 0.00 0.00 58.87 61.07 1mr5 n SER 92 Cb 0.40 -1.57 -0.07 0.00 -1.01 0.00 0.00 64.21 61.96 1mr5 n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mr5 s ARG 93 N -1.62 0.71 -0.07 1.43 1.70 -0.90 -2.32 118.95 117.88 1mr5 s ARG 93 Ca 0.57 0.75 -0.01 0.00 -0.47 0.00 0.00 55.73 56.57 1mr5 s ARG 93 Cb -0.51 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.18 1mr5 s ARG 93 CO 0.59 -0.10 -0.00 0.14 -1.08 0.00 0.00 175.30 174.85 1mr5 s VAL 94 N 0.16 4.23 0.08 4.99 -7.23 -1.01 -0.63 120.40 120.99 1mr5 s VAL 94 Ca 0.01 -0.33 -0.05 0.00 -1.81 0.00 0.00 61.98 59.80 1mr5 s VAL 94 Cb -0.04 -2.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 1mr5 s VAL 94 CO -0.01 0.56 0.10 0.68 -0.31 0.00 0.00 175.10 176.12 1mr5 s VAL 95 N -0.91 0.16 -1.06 1.32 -7.23 0.37 -4.67 120.40 108.37 1mr5 s VAL 95 Ca 0.14 -1.52 -0.23 0.00 -1.81 0.00 0.00 61.98 58.56 1mr5 s VAL 95 Cb -0.11 -1.52 0.03 0.00 0.56 0.00 0.00 36.38 35.34 1mr5 s VAL 95 CO 0.04 -0.75 0.64 0.47 -0.31 0.00 0.00 175.10 175.19 1mr5 n ASP 96 N -0.01 -4.27 -4.71 4.85 10.43 -1.26 -1.77 116.55 119.82 1mr5 n ASP 96 Ca -0.13 -1.18 -0.42 0.00 2.57 0.00 0.00 54.79 55.62 1mr5 n ASP 96 Cb 0.62 -1.56 -0.03 0.00 1.84 0.00 0.00 41.12 41.99 1mr5 n ASP 96 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1mr5 s PRO 97 N -6.59 4.16 -0.10 -0.24 0.04 -1.26 -4.28 135.00 126.74 1mr5 s PRO 97 Ca 0.32 2.49 0.02 0.00 0.04 0.00 0.00 61.00 63.87 1mr5 s PRO 97 Cb -0.18 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1mr5 s PRO 97 CO 0.94 -0.73 -0.17 0.99 0.04 0.00 0.00 177.00 178.07 1mr5 s THR 98 N 1.70 1.61 -0.07 1.26 2.01 -0.41 -3.35 115.64 118.40 1mr5 s THR 98 Ca 0.75 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 62.05 1mr5 s THR 98 Cb -0.46 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 1mr5 s THR 98 CO 0.33 0.46 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.88 1mr5 s VAL 99 N 0.75 2.97 -0.04 3.82 1.01 -0.74 -0.85 120.40 127.32 1mr5 s VAL 99 Ca -0.11 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1mr5 s VAL 99 Cb -0.16 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1mr5 s VAL 99 CO 0.02 0.57 -0.17 -0.63 0.00 0.00 0.00 175.10 174.89 1mr5 s ILE 100 N -0.44 1.42 -0.17 2.22 1.01 -0.05 0.29 121.20 125.49 1mr5 s ILE 100 Ca 0.05 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 1mr5 s ILE 100 Cb -0.12 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1mr5 s ILE 100 CO 0.02 0.41 0.08 -0.69 0.00 0.00 0.00 174.94 174.75 1mr5 s VAL 101 N -0.04 4.93 -0.11 2.92 1.01 -1.26 -1.34 120.40 126.50 1mr5 s VAL 101 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1mr5 s VAL 101 Cb -0.11 -3.21 0.06 0.00 0.00 0.00 0.00 36.38 33.12 1mr5 s VAL 101 CO 0.02 0.48 0.20 -0.75 0.00 0.00 0.00 175.10 175.05 1mr5 s LYS 102 N 0.15 0.09 3.36 2.72 2.20 -1.19 -4.55 119.74 122.53 1mr5 s LYS 102 Ca 0.06 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 1mr5 s LYS 102 Cb -0.12 -0.32 0.00 0.00 -1.51 0.00 0.00 37.83 35.88 1mr5 s LYS 102 CO 0.00 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 1mr5 n GLY 103 N 5.33 0.99 0.53 5.54 0.00 -1.26 -2.28 105.19 114.04 1mr5 n GLY 103 Ca -0.05 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1mr5 n GLY 103 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mr5 n ASN 104 N -3.10 1.09 -4.41 1.61 4.13 -1.26 -4.79 115.26 108.53 1mr5 n ASN 104 Ca 0.00 -1.97 -0.33 0.00 1.68 0.00 0.00 54.58 53.96 1mr5 n ASN 104 Cb 0.00 -0.49 -0.14 0.00 -1.54 0.00 0.00 39.78 37.61 1mr5 n ASN 104 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1mr5 s LYS 105 N -0.95 3.15 -0.31 3.52 1.02 -0.97 -0.10 119.74 125.11 1mr5 s LYS 105 Ca 0.00 -0.68 -0.11 0.00 0.02 0.00 0.00 55.97 55.20 1mr5 s LYS 105 Cb 0.00 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 1mr5 s LYS 105 CO 0.00 0.33 0.19 -0.51 -0.92 0.00 0.00 175.35 174.45 1mr5 s LEU 106 N 0.04 4.22 -0.35 3.17 1.43 0.74 -3.13 118.68 124.80 1mr5 s LEU 106 Ca -0.04 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 1mr5 s LEU 106 Cb -0.14 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1mr5 s LEU 106 CO 0.04 -0.17 0.37 -0.31 0.23 0.00 0.00 176.35 176.51 1mr5 s TYR 107 N 1.69 3.21 -0.16 0.29 2.02 -0.45 0.22 117.35 124.16 1mr5 s TYR 107 Ca 0.06 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 1mr5 s TYR 107 Cb -0.17 -2.69 0.01 0.00 -0.40 0.00 0.00 41.96 38.71 1mr5 s TYR 107 CO 0.09 -0.47 -0.18 0.08 -1.57 0.00 0.00 175.55 173.50 1mr5 s VAL 108 N 2.02 2.36 -0.17 0.71 1.01 -0.74 -0.87 120.40 124.73 1mr5 s VAL 108 Ca 0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1mr5 s VAL 108 Cb -0.17 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1mr5 s VAL 108 CO 0.12 0.53 -0.02 -0.22 0.00 0.00 0.00 175.10 175.50 1mr5 s LEU 109 N 0.99 3.29 0.02 3.92 2.96 -0.03 -2.08 118.68 127.74 1mr5 s LEU 109 Ca -0.02 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1mr5 s LEU 109 Cb -0.15 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1mr5 s LEU 109 CO -0.04 0.15 -0.03 0.68 -1.32 0.00 0.00 176.35 175.79 1mr5 s VAL 110 N 0.50 0.10 0.53 1.68 -7.23 0.36 -1.29 120.40 115.06 1mr5 s VAL 110 Ca -0.02 -0.85 -0.18 0.00 -1.81 0.00 0.00 61.98 59.12 1mr5 s VAL 110 Cb -0.14 -0.24 -0.06 0.00 0.56 0.00 0.00 36.38 36.49 1mr5 s VAL 110 CO 0.02 -0.46 1.05 -0.83 -0.31 0.00 0.00 175.10 174.57 1mr5 s GLY 111 N -1.36 2.35 -0.05 2.32 0.00 -0.73 -0.48 107.32 109.38 1mr5 s GLY 111 Ca -0.15 0.52 0.01 0.00 0.00 0.00 0.00 44.72 45.10 1mr5 s GLY 111 CO -0.01 0.84 -0.03 -0.45 0.00 0.00 0.00 173.10 173.45 1mr5 s SER 112 N -2.32 0.95 -0.10 1.64 0.15 -0.63 -0.48 113.70 112.91 1mr5 s SER 112 Ca 0.66 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 57.23 1mr5 s SER 112 Cb -0.17 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 1mr5 s SER 112 CO 0.28 -0.08 -0.22 -0.31 1.20 0.00 0.00 173.24 174.11 1mr5 s TYR 113 N 1.05 2.46 -0.10 3.44 1.51 0.19 -2.22 117.35 123.68 1mr5 s TYR 113 Ca -0.09 -1.04 -0.01 0.00 -1.01 0.00 0.00 57.07 54.91 1mr5 s TYR 113 Cb -0.14 -1.66 -0.00 0.00 -0.11 0.00 0.00 41.96 40.05 1mr5 s TYR 113 CO -0.01 -0.44 -0.02 -0.91 -1.11 0.00 0.00 175.55 173.06 1mr5 h ASN 114 N 6.83 0.00 0.00 2.29 2.35 -1.81 -2.40 115.58 122.85 1mr5 h ASN 114 Ca -0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1mr5 h ASN 114 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1mr5 h ASN 114 CO 0.48 0.52 0.00 -1.20 -1.65 0.00 0.00 177.43 175.59 1mr5 n SER 115 N -4.70 0.21 -4.76 5.81 7.64 -1.26 -3.25 113.62 113.31 1mr5 n SER 115 Ca -0.01 -1.04 -0.41 0.00 1.01 0.00 0.00 58.87 58.42 1mr5 n SER 115 Cb 0.04 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.22 1mr5 n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1mr5 s SER 116 N -0.04 6.39 -0.23 6.43 1.04 -1.26 -4.91 113.70 121.12 1mr5 s SER 116 Ca 0.00 2.96 0.14 0.00 0.48 0.00 0.00 55.95 59.53 1mr5 s SER 116 Cb 0.00 -2.64 0.71 0.00 0.10 0.00 0.00 66.02 64.19 1mr5 s SER 116 CO 0.00 -0.88 1.65 0.54 0.98 0.00 0.00 173.24 175.53 1mr5 n ARG 117 N 1.63 4.04 -4.18 4.02 5.12 -1.26 -4.94 116.66 121.09 1mr5 n ARG 117 Ca 0.06 -3.06 -0.16 0.00 -1.93 0.00 0.00 57.85 52.76 1mr5 n ARG 117 Cb 0.38 -2.12 -0.11 0.00 -1.16 0.00 0.00 32.46 29.45 1mr5 n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1mr5 s SER 118 N -1.24 1.57 0.12 0.55 1.04 -1.26 -5.01 113.70 109.48 1mr5 s SER 118 Ca 0.51 -0.76 -0.33 0.00 0.48 0.00 0.00 55.95 55.84 1mr5 s SER 118 Cb 0.40 -0.02 -0.13 0.00 0.10 0.00 0.00 66.02 66.38 1mr5 s SER 118 CO 0.13 -0.20 1.70 0.00 0.98 0.00 0.00 173.24 175.85 1mr5 n TYR 119 N 0.72 2.44 -0.32 5.02 9.36 -1.26 -4.88 117.16 128.24 1mr5 n TYR 119 Ca -0.17 0.10 0.23 0.00 3.32 0.00 0.00 57.90 61.38 1mr5 n TYR 119 Cb 0.57 -2.62 0.43 0.00 -0.63 0.00 0.00 39.34 37.08 1mr5 n TYR 119 CO 0.00 0.00 0.00 -2.67 0.22 0.00 0.00 176.86 174.41 1mr5 n TRP 120 N 4.44 0.87 0.22 2.98 4.27 -1.26 0.11 117.44 129.08 1mr5 n TRP 120 Ca 0.18 1.14 0.12 0.00 -3.89 0.00 0.00 57.50 55.05 1mr5 n TRP 120 Cb 0.32 -1.38 0.72 0.00 -1.36 0.00 0.00 31.31 29.61 1mr5 n TRP 120 CO 0.00 0.00 0.00 1.15 -2.29 0.00 0.00 177.69 176.55 1mr5 h THR 121 N 0.00 0.81 0.00 -1.67 2.02 -1.99 -2.60 112.91 109.49 1mr5 h THR 121 Ca 0.70 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.88 1mr5 h THR 121 Cb 1.69 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1mr5 h THR 121 CO -0.81 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 173.54 1mr5 n SER 122 N -4.31 0.67 -4.77 4.18 3.41 0.31 -4.90 113.62 108.21 1mr5 n SER 122 Ca -0.01 0.58 -0.36 0.00 -0.26 0.00 0.00 58.87 58.83 1mr5 n SER 122 Cb 0.19 -0.75 0.01 0.00 -0.26 0.00 0.00 64.21 63.39 1mr5 n SER 122 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1mr5 s HIS 123 N -3.13 2.63 -1.57 7.33 3.76 -0.98 -4.96 115.29 118.38 1mr5 s HIS 123 Ca 0.10 1.52 0.20 0.00 -0.15 0.00 0.00 55.06 56.73 1mr5 s HIS 123 Cb 0.12 -3.39 -0.06 0.00 1.11 0.00 0.00 32.58 30.36 1mr5 s HIS 123 CO 0.54 -1.79 0.95 0.41 -0.85 0.00 0.00 174.74 173.99 1mr5 n GLY 124 N 0.36 -0.22 3.23 -2.22 0.00 -1.26 -4.92 105.19 100.17 1mr5 n GLY 124 Ca 0.11 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 1mr5 n GLY 124 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mr5 n ASP 125 N -0.45 -1.66 -1.61 1.61 5.68 -1.26 -5.02 116.55 113.84 1mr5 n ASP 125 Ca 0.07 -2.58 0.02 0.00 -0.50 0.00 0.00 54.79 51.80 1mr5 n ASP 125 Cb 0.39 2.89 0.32 0.00 -1.14 0.00 0.00 41.12 43.57 1mr5 n ASP 125 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mr5 n ALA 126 N -0.85 3.94 0.29 2.12 0.00 -1.26 -4.71 120.51 120.04 1mr5 n ALA 126 Ca -0.14 -2.28 0.18 0.00 0.00 0.00 0.00 53.44 51.20 1mr5 n ALA 126 Cb 0.54 -1.03 0.78 0.00 0.00 0.00 0.00 19.45 19.73 1mr5 n ALA 126 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1mr5 h ARG 127 N 2.69 0.00 -0.29 0.00 9.65 -1.97 -3.09 114.38 121.37 1mr5 h ARG 127 Ca 0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1mr5 h ARG 127 Cb 1.95 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.53 1mr5 h ARG 127 CO 0.51 0.00 0.00 -3.47 2.80 0.00 0.00 179.97 179.81 1mr5 n ASP 128 N -3.06 2.91 -4.17 -3.80 2.03 -1.26 -4.99 116.55 104.22 1mr5 n ASP 128 Ca -0.00 -2.12 -0.20 0.00 0.52 0.00 0.00 54.79 52.99 1mr5 n ASP 128 Cb 0.26 -0.24 -0.13 0.00 -0.72 0.00 0.00 41.12 40.29 1mr5 n ASP 128 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1mr5 s TRP 129 N -1.22 1.31 0.17 -0.67 -0.00 -1.17 -2.53 118.94 114.83 1mr5 s TRP 129 Ca 0.23 -0.39 -0.18 0.00 -0.00 0.00 0.00 56.10 55.75 1mr5 s TRP 129 Cb 0.13 -0.76 0.04 0.00 -0.00 0.00 0.00 33.47 32.88 1mr5 s TRP 129 CO 0.13 0.06 0.51 0.34 -0.00 0.00 0.00 176.95 177.99 1mr5 s ASP 130 N -1.39 -0.32 -0.20 5.86 -1.08 -0.94 -5.01 116.67 113.59 1mr5 s ASP 130 Ca 0.01 -0.34 0.01 0.00 -0.52 0.00 0.00 52.55 51.71 1mr5 s ASP 130 Cb -0.09 0.56 0.04 0.00 -1.46 0.00 0.00 42.92 41.97 1mr5 s ASP 130 CO 0.02 -0.99 -0.09 -0.51 0.52 0.00 0.00 175.17 174.12 1mr5 s ILE 131 N -3.83 1.51 0.04 4.11 1.10 -1.26 -1.60 121.20 121.26 1mr5 s ILE 131 Ca 0.06 -0.94 0.05 0.00 -0.51 0.00 0.00 60.65 59.30 1mr5 s ILE 131 Cb -0.00 -1.63 -0.04 0.00 0.15 0.00 0.00 42.46 40.95 1mr5 s ILE 131 CO -0.07 0.13 -0.09 -0.76 -2.11 0.00 0.00 174.94 172.03 1mr5 s LEU 132 N 1.45 3.05 -0.05 8.50 1.43 0.37 -0.54 118.68 132.89 1mr5 s LEU 132 Ca -0.01 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1mr5 s LEU 132 Cb -0.16 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1mr5 s LEU 132 CO -0.08 0.25 -0.16 -0.22 0.23 0.00 0.00 176.35 176.36 1mr5 s LEU 133 N -1.65 1.87 -0.00 1.79 2.96 -0.67 -0.49 118.68 122.49 1mr5 s LEU 133 Ca 0.18 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1mr5 s LEU 133 Cb -0.11 -0.97 -0.01 0.00 0.50 0.00 0.00 46.19 45.60 1mr5 s LEU 133 CO 0.09 0.12 -0.08 0.00 -1.32 0.00 0.00 176.35 175.16 1mr5 s ALA 134 N 0.22 0.65 -0.14 5.97 0.00 -0.88 0.28 121.76 127.87 1mr5 s ALA 134 Ca -0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 1mr5 s ALA 134 Cb -0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1mr5 s ALA 134 CO 0.03 0.15 -0.10 0.08 0.00 0.00 0.00 175.76 175.92 1mr5 s VAL 135 N -0.29 3.31 -0.20 0.00 1.01 -1.26 -1.78 120.40 121.19 1mr5 s VAL 135 Ca 0.02 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1mr5 s VAL 135 Cb -0.04 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1mr5 s VAL 135 CO -0.00 0.52 0.03 -0.83 0.00 0.00 0.00 175.10 174.82 1mr5 s GLY 136 N 0.34 1.78 -0.37 4.51 0.00 0.58 -1.62 107.32 112.55 1mr5 s GLY 136 Ca -0.09 -0.94 -0.13 0.00 0.00 0.00 0.00 44.72 43.56 1mr5 s GLY 136 CO 0.05 0.23 0.26 1.85 0.00 0.00 0.00 173.10 175.48 1mr5 s GLU 137 N 0.91 3.25 -0.18 2.90 2.56 0.00 0.26 118.70 128.41 1mr5 s GLU 137 Ca 0.02 -0.82 -0.20 0.00 0.00 0.00 0.00 54.97 53.98 1mr5 s GLU 137 Cb -0.14 -3.85 -0.03 0.00 2.00 0.00 0.00 34.13 32.11 1mr5 s GLU 137 CO 0.02 -0.57 0.58 0.08 -0.56 0.00 0.00 175.26 174.81 1mr5 s VAL 138 N 1.69 5.07 0.00 3.70 1.01 0.86 -1.38 120.40 131.36 1mr5 s VAL 138 Ca 0.05 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.21 1mr5 s VAL 138 Cb -0.18 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1mr5 s VAL 138 CO 0.10 0.17 -0.25 -0.89 0.00 0.00 0.00 175.10 174.24 1mr5 s THR 139 N 1.54 2.22 0.17 3.92 2.01 0.07 -4.83 115.64 120.76 1mr5 s THR 139 Ca 0.27 -1.18 0.08 0.00 0.31 0.00 0.00 61.69 61.18 1mr5 s THR 139 Cb -0.16 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1mr5 s THR 139 CO 0.11 0.49 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.92 1mr5 s LYS 140 N -0.90 2.17 0.08 4.92 1.02 -1.26 -1.10 119.74 124.66 1mr5 s LYS 140 Ca 0.11 -1.21 0.02 0.00 0.02 0.00 0.00 55.97 54.92 1mr5 s LYS 140 Cb -0.10 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 1mr5 s LYS 140 CO 0.01 0.44 -0.08 0.45 -0.92 0.00 0.00 175.35 175.25 1mr5 s SER 141 N -2.83 1.13 -0.24 2.83 0.15 -0.50 -4.99 113.70 109.24 1mr5 s SER 141 Ca 0.25 -0.78 0.14 0.00 0.70 0.00 0.00 55.95 56.27 1mr5 s SER 141 Cb -0.09 0.05 0.47 0.00 -1.71 0.00 0.00 66.02 64.73 1mr5 s SER 141 CO 0.16 -0.31 1.17 0.35 1.20 0.00 0.00 173.24 175.81 1mr5 n THR 142 N 0.71 1.89 -1.93 6.45 -2.24 -1.26 -1.75 114.28 116.15 1mr5 n THR 142 Ca -0.17 -3.41 -0.42 0.00 -2.27 0.00 0.00 64.05 57.78 1mr5 n THR 142 Cb 0.57 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1mr5 n THR 142 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mr5 s ALA 143 N -3.28 3.68 -1.61 6.98 0.00 -1.23 -3.28 121.76 123.04 1mr5 s ALA 143 Ca 0.41 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1mr5 s ALA 143 Cb 0.38 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1mr5 s ALA 143 CO -0.02 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1mr5 n GLY 144 N 3.99 1.43 1.82 0.00 0.00 -1.26 -2.42 105.19 108.74 1mr5 n GLY 144 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1mr5 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mr5 n GLY 145 N -1.09 0.52 3.35 -0.02 0.00 -1.20 -5.05 105.19 101.70 1mr5 n GLY 145 Ca -0.16 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1mr5 n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mr5 s LYS 146 N -0.54 3.40 -0.27 1.61 2.20 -1.02 -5.07 119.74 120.05 1mr5 s LYS 146 Ca 0.00 -0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 54.69 1mr5 s LYS 146 Cb 0.00 -3.16 -0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1mr5 s LYS 146 CO 0.00 -0.24 1.29 0.42 -0.36 0.00 0.00 175.35 176.46 1mr5 s ILE 147 N 1.52 4.18 0.34 5.43 1.01 -1.26 -3.47 121.20 128.95 1mr5 s ILE 147 Ca 0.05 1.36 0.03 0.00 0.00 0.00 0.00 60.65 62.09 1mr5 s ILE 147 Cb -0.15 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1mr5 s ILE 147 CO -0.00 -0.39 0.09 0.42 0.00 0.00 0.00 174.94 175.06 1mr5 s THR 148 N 4.16 0.84 0.15 2.92 -4.23 -0.71 -4.98 115.64 113.78 1mr5 s THR 148 Ca 0.56 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1mr5 s THR 148 Cb -0.18 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1mr5 s THR 148 CO 0.21 0.00 0.03 0.00 -0.54 0.00 0.00 174.62 174.31 1mr5 s ALA 149 N -3.36 1.09 0.07 3.99 0.00 -1.26 -1.41 121.76 120.87 1mr5 s ALA 149 Ca 0.32 -1.52 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 1mr5 s ALA 149 Cb 0.06 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.88 1mr5 s ALA 149 CO 0.15 -0.40 0.25 -1.54 0.00 0.00 0.00 175.76 174.22 1mr5 s SER 150 N -3.10 -0.02 -0.09 0.00 1.04 -0.26 -4.97 113.70 106.29 1mr5 s SER 150 Ca 0.23 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 1mr5 s SER 150 Cb 0.07 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.57 1mr5 s SER 150 CO 0.02 -0.67 -0.03 -0.63 0.98 0.00 0.00 173.24 172.91 1mr5 s ILE 151 N -3.12 0.68 -0.35 -1.02 1.01 -1.26 -0.75 121.20 116.39 1mr5 s ILE 151 Ca -0.01 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.39 1mr5 s ILE 151 Cb 0.01 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 1mr5 s ILE 151 CO -0.07 0.30 0.40 -0.75 0.00 0.00 0.00 174.94 174.81 1mr5 s LYS 152 N 1.85 3.52 -0.37 2.79 2.36 -0.48 -4.89 119.74 124.51 1mr5 s LYS 152 Ca 0.05 -0.42 -0.22 0.00 -2.55 0.00 0.00 55.97 52.83 1mr5 s LYS 152 Cb -0.13 -3.83 0.01 0.00 -1.05 0.00 0.00 37.83 32.84 1mr5 s LYS 152 CO -0.07 -0.58 0.74 -1.58 1.55 0.00 0.00 175.35 175.41 1mr5 s TRP 153 N 2.09 3.12 0.91 4.03 0.52 -1.26 -0.82 118.94 127.53 1mr5 s TRP 153 Ca 0.13 0.47 -0.12 0.00 0.02 0.00 0.00 56.10 56.61 1mr5 s TRP 153 Cb -0.16 -3.34 0.13 0.00 -1.15 0.00 0.00 33.47 28.95 1mr5 s TRP 153 CO 0.12 -0.72 1.10 0.20 0.02 0.00 0.00 176.95 177.68 1mr5 s GLY 154 N 1.84 1.59 0.33 0.98 0.00 -0.64 -5.00 107.32 106.43 1mr5 s GLY 154 Ca 0.29 -0.28 -0.28 0.00 0.00 0.00 0.00 44.72 44.45 1mr5 s GLY 154 CO 0.17 0.24 1.16 -0.56 0.00 0.00 0.00 173.10 174.11 1mr5 s SER 155 N -3.68 6.91 0.65 1.64 0.01 -1.26 -4.49 113.70 113.48 1mr5 s SER 155 Ca 0.63 2.37 -0.18 0.00 1.31 0.00 0.00 55.95 60.09 1mr5 s SER 155 Cb -0.17 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.43 1mr5 s SER 155 CO 0.56 -0.40 1.26 -2.84 0.41 0.00 0.00 173.24 172.23 1mr5 s PRO 156 N -1.84 2.54 -0.01 12.44 0.02 -1.26 -4.67 135.00 142.22 1mr5 s PRO 156 Ca 0.50 1.97 0.06 0.00 0.02 0.00 0.00 61.00 63.55 1mr5 s PRO 156 Cb -0.33 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 1mr5 s PRO 156 CO 0.42 -1.58 -0.19 0.08 -0.33 0.00 0.00 177.00 175.40 1mr5 s VAL 157 N -1.54 1.49 0.15 3.83 1.01 0.14 -4.92 120.40 120.56 1mr5 s VAL 157 Ca 0.80 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1mr5 s VAL 157 Cb -0.35 -1.24 -0.07 0.00 0.00 0.00 0.00 36.38 34.72 1mr5 s VAL 157 CO 0.40 0.40 0.98 -0.55 0.00 0.00 0.00 175.10 176.32 1mr5 s SER 158 N -0.50 7.49 -0.21 3.32 0.15 -1.26 -1.67 113.70 121.02 1mr5 s SER 158 Ca 0.07 1.88 0.15 0.00 0.70 0.00 0.00 55.95 58.75 1mr5 s SER 158 Cb -0.07 -2.60 0.71 0.00 -1.71 0.00 0.00 66.02 62.35 1mr5 s SER 158 CO -0.01 -0.04 1.63 0.18 1.20 0.00 0.00 173.24 176.20 1mr5 n LEU 159 N 2.44 5.03 -0.02 3.45 4.77 0.30 -4.63 117.00 128.35 1mr5 n LEU 159 Ca 0.01 -2.96 0.04 0.00 -0.03 0.00 0.00 56.01 53.08 1mr5 n LEU 159 Cb 0.48 -0.63 0.42 0.00 -2.33 0.00 0.00 43.42 41.36 1mr5 n LEU 159 CO 0.51 0.65 1.17 0.50 -1.33 0.00 0.00 177.39 178.89 1mr5 h LYS 160 N 3.16 0.55 0.00 3.23 3.64 -1.92 -1.88 116.57 123.35 1mr5 h LYS 160 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1mr5 h LYS 160 Cb 1.77 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1mr5 h LYS 160 CO 0.39 0.36 0.00 -0.85 -2.27 0.00 0.00 179.45 177.08 1mr5 n GLU 161 N -4.47 0.01 -0.13 1.90 0.28 -1.26 -1.81 120.64 115.16 1mr5 n GLU 161 Ca 0.04 0.48 0.11 0.00 -0.16 0.00 0.00 57.16 57.63 1mr5 n GLU 161 Cb 0.08 -1.54 0.17 0.00 1.43 0.00 0.00 31.44 31.58 1mr5 n GLU 161 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1mr5 n PHE 162 N -1.57 0.34 -3.48 -1.84 3.01 -0.71 -4.85 117.46 108.36 1mr5 n PHE 162 Ca 0.00 -0.18 -0.42 0.00 1.01 0.00 0.00 57.45 57.86 1mr5 n PHE 162 Cb 0.03 -0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.39 1mr5 n PHE 162 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 1mr5 s PHE 163 N -1.55 3.24 0.50 1.38 5.36 -0.75 -4.82 117.98 121.33 1mr5 s PHE 163 Ca 0.34 -0.50 -0.21 0.00 -0.96 0.00 0.00 56.93 55.59 1mr5 s PHE 163 Cb 0.21 -2.56 -0.07 0.00 -0.34 0.00 0.00 43.02 40.26 1mr5 s PHE 163 CO 0.29 -0.53 1.12 -1.25 -1.46 0.00 0.00 175.22 173.39 1mr5 s PRO 164 N 1.69 3.62 0.56 10.12 0.04 -1.26 -4.92 135.00 144.85 1mr5 s PRO 164 Ca 0.05 1.61 0.32 0.00 0.04 0.00 0.00 61.00 63.02 1mr5 s PRO 164 Cb -0.19 -2.19 1.64 0.00 0.04 0.00 0.00 34.50 33.81 1mr5 s PRO 164 CO 0.10 -0.63 2.12 0.00 0.04 0.00 0.00 177.00 178.63 1mr5 h ALA 165 N 1.62 1.19 -3.02 8.56 0.00 -1.97 -3.42 119.26 122.24 1mr5 h ALA 165 Ca -0.50 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.13 1mr5 h ALA 165 Cb 1.25 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.82 1mr5 h ALA 165 CO 0.59 0.09 -0.71 -1.21 0.00 0.00 0.00 179.25 178.00 1mr5 s GLU 166 N -4.12 0.43 0.22 0.00 2.02 -1.26 -0.99 118.70 115.00 1mr5 s GLU 166 Ca -0.03 -0.72 -0.00 0.00 0.02 0.00 0.00 54.97 54.24 1mr5 s GLU 166 Cb 0.12 -0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.24 1mr5 s GLU 166 CO 0.54 -0.01 0.12 -1.64 0.02 0.00 0.00 175.26 174.30 1mr5 s MET 167 N -1.66 1.26 -0.19 1.61 -1.94 -1.13 -4.90 119.30 112.34 1mr5 s MET 167 Ca -0.12 -1.67 -0.35 0.00 -1.71 0.00 0.00 55.69 51.84 1mr5 s MET 167 Cb -0.09 0.14 -0.12 0.00 2.01 0.00 0.00 34.83 36.77 1mr5 s MET 167 CO -0.01 -0.37 1.96 -1.91 -0.01 0.00 0.00 175.02 174.68 1mr5 n GLU 168 N -0.32 1.74 -1.21 2.03 2.13 -1.26 -1.46 120.64 122.29 1mr5 n GLU 168 Ca 0.02 0.60 -0.07 0.00 0.66 0.00 0.00 57.16 58.37 1mr5 n GLU 168 Cb 0.66 -2.57 -0.03 0.00 0.27 0.00 0.00 31.44 29.78 1mr5 n GLU 168 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mr5 n GLY 169 N 4.99 0.90 3.75 8.31 0.00 -1.26 -5.01 105.19 116.88 1mr5 n GLY 169 Ca 0.28 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 1mr5 n GLY 169 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1mr5 s MET 170 N -2.60 1.86 -0.12 1.61 0.23 -0.53 -5.15 119.30 114.60 1mr5 s MET 170 Ca 0.00 -1.23 0.03 0.00 -1.03 0.00 0.00 55.69 53.46 1mr5 s MET 170 Cb 0.00 0.57 0.00 0.00 -1.53 0.00 0.00 34.83 33.87 1mr5 s MET 170 CO 0.00 -0.84 -0.22 -1.01 -2.03 0.00 0.00 175.02 170.93 1mr5 s HIS 171 N -3.46 2.63 0.55 3.16 3.76 -1.26 -2.84 115.29 117.84 1mr5 s HIS 171 Ca 0.16 -1.12 -0.14 0.00 -0.15 0.00 0.00 55.06 53.82 1mr5 s HIS 171 Cb -0.04 -1.77 -0.06 0.00 1.11 0.00 0.00 32.58 31.82 1mr5 s HIS 171 CO 0.10 -0.47 0.99 0.95 -0.85 0.00 0.00 174.74 175.46 1mr5 s THR 172 N 0.54 4.62 0.00 1.30 -4.23 -0.16 -1.57 115.64 116.14 1mr5 s THR 172 Ca -0.13 1.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1mr5 s THR 172 Cb -0.17 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1mr5 s THR 172 CO 0.04 -0.88 0.00 -3.20 -0.54 0.00 0.00 174.62 170.04 1mr5 n ASN 173 N -2.07 0.00 -4.25 3.99 5.15 0.24 -4.66 115.26 113.67 1mr5 n ASN 173 Ca 0.06 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.90 1mr5 n ASN 173 Cb 0.54 -0.01 -0.10 0.00 -0.53 0.00 0.00 39.78 39.68 1mr5 n ASN 173 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1mr5 s GLN 174 N -0.73 1.12 -0.05 1.20 -0.21 -1.18 -4.63 119.66 115.19 1mr5 s GLN 174 Ca 0.00 -1.54 -0.14 0.00 0.02 0.00 0.00 55.36 53.69 1mr5 s GLN 174 Cb 0.00 -0.30 0.03 0.00 1.00 0.00 0.00 33.01 33.74 1mr5 s GLN 174 CO 0.00 -0.12 0.33 -0.59 -2.12 0.00 0.00 175.29 172.79 1mr5 s PHE 175 N -3.63 -0.25 0.26 0.91 -0.12 -1.26 -0.40 117.98 113.48 1mr5 s PHE 175 Ca 0.24 0.48 0.05 0.00 -0.05 0.00 0.00 56.93 57.66 1mr5 s PHE 175 Cb 0.06 0.11 -0.06 0.00 -0.63 0.00 0.00 43.02 42.51 1mr5 s PHE 175 CO 0.04 -0.34 -0.04 -0.51 -0.05 0.00 0.00 175.22 174.33 1mr5 s LEU 176 N -0.89 2.37 0.84 -1.99 1.43 0.23 -4.88 118.68 115.80 1mr5 s LEU 176 Ca -0.10 -1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 51.69 1mr5 s LEU 176 Cb -0.04 -0.49 0.09 0.00 0.03 0.00 0.00 46.19 45.78 1mr5 s LEU 176 CO 0.03 -0.41 1.09 -0.83 0.23 0.00 0.00 176.35 176.47 1mr5 s GLY 177 N -3.39 1.64 0.00 -3.19 0.00 -1.26 -1.34 107.32 99.78 1mr5 s GLY 177 Ca 0.29 0.03 0.21 0.00 0.00 0.00 0.00 44.72 45.25 1mr5 s GLY 177 CO 0.10 0.46 1.70 0.61 0.00 0.00 0.00 173.10 175.98 1mr5 n GLY 178 N -1.30 -0.49 0.05 0.20 0.00 -1.06 -4.52 105.19 98.06 1mr5 n GLY 178 Ca 0.08 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.85 1mr5 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr5 n ALA 179 N -0.36 -0.14 -0.61 4.61 0.00 -1.26 -4.42 120.51 118.33 1mr5 n ALA 179 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1mr5 n ALA 179 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1mr5 n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mr5 n GLY 180 N -2.33 2.11 3.37 0.00 0.00 -1.21 -4.78 105.19 102.35 1mr5 n GLY 180 Ca -0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1mr5 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mr5 s VAL 181 N 0.00 3.01 0.00 1.61 1.01 -1.26 -1.79 120.40 122.98 1mr5 s VAL 181 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1mr5 s VAL 181 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1mr5 s VAL 181 CO 0.00 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.63 1mr5 n ALA 182 N 3.49 0.00 -2.80 5.51 0.00 0.15 -4.67 120.51 122.19 1mr5 n ALA 182 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 1mr5 n ALA 182 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 1mr5 n ALA 182 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1mr5 s ILE 183 N 2.05 0.05 -0.21 0.00 -4.36 -1.15 -4.68 121.20 112.90 1mr5 s ILE 183 Ca 0.00 -1.38 -0.07 0.00 -0.26 0.00 0.00 60.65 58.94 1mr5 s ILE 183 Cb 0.00 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 1mr5 s ILE 183 CO 0.00 -0.22 0.06 -0.69 0.24 0.00 0.00 174.94 174.33 1mr5 s VAL 184 N -3.98 4.60 0.81 8.37 1.01 -1.26 -0.80 120.40 129.16 1mr5 s VAL 184 Ca 0.18 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 1mr5 s VAL 184 Cb 0.03 -3.10 0.08 0.00 0.00 0.00 0.00 36.38 33.38 1mr5 s VAL 184 CO 0.02 0.41 1.11 0.00 0.00 0.00 0.00 175.10 176.64 1mr5 s ALA 185 N 0.83 2.24 0.50 5.51 0.00 0.26 -4.90 121.76 126.19 1mr5 s ALA 185 Ca 0.03 -0.29 0.16 0.00 0.00 0.00 0.00 51.96 51.86 1mr5 s ALA 185 Cb -0.14 -3.08 1.20 0.00 0.00 0.00 0.00 23.12 21.11 1mr5 s ALA 185 CO 0.02 -1.77 2.11 0.66 0.00 0.00 0.00 175.76 176.78 1mr5 h SER 186 N -1.12 0.00 -0.02 0.00 4.64 -1.99 -0.85 113.55 114.21 1mr5 h SER 186 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1mr5 h SER 186 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1mr5 h SER 186 CO 0.60 0.05 0.00 -0.46 -0.87 0.00 0.00 176.83 176.15 1mr5 n ASN 187 N -4.47 0.16 0.00 4.97 0.23 -1.26 -4.88 115.26 110.02 1mr5 n ASN 187 Ca -0.03 -1.63 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 1mr5 n ASN 187 Cb 0.13 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 1mr5 n ASN 187 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mr5 n GLY 188 N 0.74 0.98 3.76 4.83 0.00 -0.32 -5.04 105.19 110.13 1mr5 n GLY 188 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1mr5 n GLY 188 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mr5 s ASN 189 N -2.09 6.65 -0.17 1.61 -0.87 -1.26 -4.69 114.94 114.13 1mr5 s ASN 189 Ca 0.00 2.73 -0.29 0.00 -1.57 0.00 0.00 52.86 53.73 1mr5 s ASN 189 Cb 0.00 -2.64 -0.00 0.00 -0.02 0.00 0.00 41.25 38.59 1mr5 s ASN 189 CO 0.00 -0.67 1.03 -0.76 -2.57 0.00 0.00 177.10 174.14 1mr5 s LEU 190 N -1.14 4.17 -0.19 0.60 1.43 -0.05 -0.57 118.68 122.94 1mr5 s LEU 190 Ca 0.55 1.46 0.01 0.00 -1.03 0.00 0.00 54.13 55.12 1mr5 s LEU 190 Cb -0.42 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.28 1mr5 s LEU 190 CO 0.50 -0.57 -0.16 -0.69 0.23 0.00 0.00 176.35 175.65 1mr5 s VAL 191 N 2.66 1.93 -0.17 -1.59 1.01 0.02 -1.63 120.40 122.63 1mr5 s VAL 191 Ca 0.46 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1mr5 s VAL 191 Cb -0.17 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1mr5 s VAL 191 CO 0.12 0.39 -0.08 -0.31 0.00 0.00 0.00 175.10 175.22 1mr5 s TYR 192 N 1.31 2.92 0.14 5.22 4.12 -0.39 -2.94 117.35 127.73 1mr5 s TYR 192 Ca 0.02 -0.71 -0.30 0.00 0.02 0.00 0.00 57.07 56.10 1mr5 s TYR 192 Cb -0.14 -1.98 -0.07 0.00 -1.52 0.00 0.00 41.96 38.25 1mr5 s TYR 192 CO -0.11 -0.32 1.09 -2.14 0.02 0.00 0.00 175.55 174.08 1mr5 s PRO 193 N 0.84 4.58 0.06 -1.71 0.02 -1.26 -0.79 135.00 136.75 1mr5 s PRO 193 Ca -0.02 1.67 0.06 0.00 0.02 0.00 0.00 61.00 62.73 1mr5 s PRO 193 Cb -0.15 -3.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.03 1mr5 s PRO 193 CO 0.01 0.04 -0.18 0.14 -0.33 0.00 0.00 177.00 176.69 1mr5 s VAL 194 N 0.06 1.41 -0.22 3.83 -7.23 0.38 -2.57 120.40 116.05 1mr5 s VAL 194 Ca 0.50 -1.25 -0.11 0.00 -1.81 0.00 0.00 61.98 59.31 1mr5 s VAL 194 Cb -0.28 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.34 1mr5 s VAL 194 CO 0.33 -0.01 0.19 0.00 -0.31 0.00 0.00 175.10 175.30 1mr5 s GLN 195 N -1.46 4.11 0.03 4.82 -2.07 -0.45 -0.15 119.66 124.49 1mr5 s GLN 195 Ca 0.04 -0.18 0.06 0.00 -1.82 0.00 0.00 55.36 53.45 1mr5 s GLN 195 Cb -0.09 -3.51 -0.02 0.00 -1.09 0.00 0.00 33.01 28.29 1mr5 s GLN 195 CO 0.02 0.09 -0.17 0.08 -1.32 0.00 0.00 175.29 174.00 1mr5 s VAL 196 N 0.95 1.32 0.08 3.63 1.01 0.14 -0.60 120.40 126.93 1mr5 s VAL 196 Ca 0.10 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.13 1mr5 s VAL 196 Cb -0.13 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1mr5 s VAL 196 CO 0.04 0.12 -0.17 0.42 0.00 0.00 0.00 175.10 175.51 1mr5 s THR 197 N -0.77 2.90 0.48 3.92 -4.23 0.46 -0.57 115.64 117.84 1mr5 s THR 197 Ca 0.04 -1.33 0.05 0.00 -1.18 0.00 0.00 61.69 59.27 1mr5 s THR 197 Cb -0.08 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 1mr5 s THR 197 CO 0.01 0.20 0.22 0.54 -0.54 0.00 0.00 174.62 175.06 1mr5 s ASN 198 N -1.85 4.44 0.43 3.99 2.20 -1.16 -0.59 114.94 122.40 1mr5 s ASN 198 Ca 0.17 -1.27 0.30 0.00 -0.94 0.00 0.00 52.86 51.12 1mr5 s ASN 198 Cb -0.11 0.07 1.39 0.00 -2.00 0.00 0.00 41.25 40.60 1mr5 s ASN 198 CO 0.09 -0.82 1.90 0.11 -2.94 0.00 0.00 177.10 175.44 1mr5 h LYS 199 N 1.16 0.00 -0.00 3.55 1.79 -1.56 0.20 116.57 121.71 1mr5 h LYS 199 Ca -0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1mr5 h LYS 199 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1mr5 h LYS 199 CO 0.66 0.00 -0.01 1.63 -1.08 0.00 0.00 179.45 180.65 1mr5 n LYS 200 N -2.66 1.01 -1.18 3.15 5.02 -1.26 -4.90 118.16 117.34 1mr5 n LYS 200 Ca 0.00 -0.16 -0.06 0.00 -2.02 0.00 0.00 58.31 56.07 1mr5 n LYS 200 Cb 0.20 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 1mr5 n LYS 200 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1mr5 n LYS 201 N -0.86 -0.62 -2.61 1.97 5.02 0.70 -5.01 118.16 116.76 1mr5 n LYS 201 Ca 0.21 0.65 -0.36 0.00 -2.02 0.00 0.00 58.31 56.80 1mr5 n LYS 201 Cb 0.17 -4.44 -0.05 0.00 -0.02 0.00 0.00 35.03 30.70 1mr5 n LYS 201 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1mr5 s GLN 202 N -2.25 4.15 -0.07 1.97 -0.21 -1.26 -4.85 119.66 117.14 1mr5 s GLN 202 Ca 0.00 1.41 -0.01 0.00 0.02 0.00 0.00 55.36 56.78 1mr5 s GLN 202 Cb 0.00 -2.44 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 1mr5 s GLN 202 CO 0.00 -0.13 -0.02 0.54 -2.12 0.00 0.00 175.29 173.56 1mr5 s VAL 203 N -1.78 4.12 0.13 1.09 0.11 -1.26 -2.96 120.40 119.84 1mr5 s VAL 203 Ca 0.59 -0.34 -0.07 0.00 -2.93 0.00 0.00 61.98 59.24 1mr5 s VAL 203 Cb -0.19 -2.73 -0.01 0.00 -1.53 0.00 0.00 36.38 31.92 1mr5 s VAL 203 CO 0.24 0.59 0.19 0.72 -3.33 0.00 0.00 175.10 173.51 1mr5 s PHE 204 N -0.88 0.42 -0.05 1.54 -0.12 0.26 -0.35 117.98 118.81 1mr5 s PHE 204 Ca 0.13 -0.82 -0.01 0.00 -0.05 0.00 0.00 56.93 56.18 1mr5 s PHE 204 Cb -0.11 -0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.08 1mr5 s PHE 204 CO 0.03 -0.61 0.03 -1.12 -0.05 0.00 0.00 175.22 173.50 1mr5 s SER 205 N -2.95 5.43 0.24 1.98 0.01 -1.08 0.29 113.70 117.62 1mr5 s SER 205 Ca 0.14 0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.54 1mr5 s SER 205 Cb 0.05 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.70 1mr5 s SER 205 CO -0.04 0.33 0.12 -0.54 0.41 0.00 0.00 173.24 173.53 1mr5 s LYS 206 N -1.28 1.36 -0.31 12.44 1.02 0.79 -2.10 119.74 131.65 1mr5 s LYS 206 Ca 0.17 -1.73 -0.12 0.00 0.02 0.00 0.00 55.97 54.31 1mr5 s LYS 206 Cb -0.12 -0.01 -0.03 0.00 -0.52 0.00 0.00 37.83 37.15 1mr5 s LYS 206 CO 0.07 -0.36 0.21 0.42 -0.92 0.00 0.00 175.35 174.77 1mr5 s ILE 207 N -3.89 5.15 -0.24 2.17 -1.09 -1.26 0.14 121.20 122.18 1mr5 s ILE 207 Ca 0.38 -0.13 -0.01 0.00 -2.23 0.00 0.00 60.65 58.66 1mr5 s ILE 207 Cb 0.07 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1mr5 s ILE 207 CO 0.14 0.09 -0.08 0.12 -1.23 0.00 0.00 174.94 173.98 1mr5 s PHE 208 N 1.71 3.02 0.10 3.97 2.19 0.03 -1.49 117.98 127.52 1mr5 s PHE 208 Ca 0.06 -1.51 0.05 0.00 0.33 0.00 0.00 56.93 55.86 1mr5 s PHE 208 Cb -0.17 -2.04 -0.03 0.00 -1.31 0.00 0.00 43.02 39.47 1mr5 s PHE 208 CO 0.10 -0.72 -0.12 1.52 1.83 0.00 0.00 175.22 177.83 1mr5 s TYR 209 N 1.33 1.19 -0.02 10.12 1.13 0.13 -1.26 117.35 129.97 1mr5 s TYR 209 Ca 0.01 -0.59 0.07 0.00 -1.41 0.00 0.00 57.07 55.16 1mr5 s TYR 209 Cb -0.16 -0.64 -0.02 0.00 -1.10 0.00 0.00 41.96 40.04 1mr5 s TYR 209 CO -0.05 0.06 -0.24 0.45 -2.51 0.00 0.00 175.55 173.25 1mr5 s SER 210 N -2.31 2.78 0.00 -0.18 0.15 -0.65 -0.57 113.70 112.92 1mr5 s SER 210 Ca 0.05 -0.43 0.16 0.00 0.70 0.00 0.00 55.95 56.43 1mr5 s SER 210 Cb -0.05 -0.33 0.11 0.00 -1.71 0.00 0.00 66.02 64.04 1mr5 s SER 210 CO 0.01 0.29 0.99 -0.62 1.20 0.00 0.00 173.24 175.11 1mr5 n GLU 211 N 2.52 1.37 -2.53 5.44 1.02 -1.26 -0.87 120.64 126.33 1mr5 n GLU 211 Ca -0.16 -1.37 -0.16 0.00 -0.02 0.00 0.00 57.16 55.46 1mr5 n GLU 211 Cb 0.52 -1.31 0.02 0.00 -0.02 0.00 0.00 31.44 30.65 1mr5 n GLU 211 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1mr5 n ASP 212 N 0.75 3.09 -2.88 1.62 3.85 -1.26 -4.92 116.55 116.79 1mr5 n ASP 212 Ca 0.09 -3.10 -0.19 0.00 -0.71 0.00 0.00 54.79 50.88 1mr5 n ASP 212 Cb 0.40 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.70 1mr5 n ASP 212 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1mr5 n GLU 213 N -0.38 -3.17 -0.58 0.11 -0.58 -1.26 -1.89 120.64 112.89 1mr5 n GLU 213 Ca 0.24 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.64 1mr5 n GLU 213 Cb 0.78 -5.36 0.00 0.00 -0.57 0.00 0.00 31.44 26.29 1mr5 n GLU 213 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mr5 n GLY 214 N -1.11 0.72 0.22 0.62 0.00 -1.26 -4.94 105.19 99.44 1mr5 n GLY 214 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1mr5 n GLY 214 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mr5 h LYS 215 N 2.42 -0.47 -5.23 1.61 1.79 -1.79 -3.46 116.57 111.44 1mr5 h LYS 215 Ca 0.00 0.03 -0.41 0.00 -2.18 0.00 0.00 60.65 58.10 1mr5 h LYS 215 Cb 0.00 0.11 -0.14 0.00 -1.58 0.00 0.00 32.23 30.61 1mr5 h LYS 215 CO 0.00 -0.22 -0.67 0.95 -1.08 0.00 0.00 179.45 178.42 1mr5 s THR 216 N -5.47 1.26 0.11 -0.16 -4.23 -1.26 -5.11 115.64 100.79 1mr5 s THR 216 Ca -0.15 -2.07 0.04 0.00 -1.18 0.00 0.00 61.69 58.32 1mr5 s THR 216 Cb 0.03 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 1mr5 s THR 216 CO 0.60 -0.40 -0.10 0.26 -0.54 0.00 0.00 174.62 174.44 1mr5 s TRP 217 N -3.27 1.10 0.02 3.99 0.52 -1.26 -4.30 118.94 115.74 1mr5 s TRP 217 Ca 0.27 -0.70 -0.04 0.00 0.02 0.00 0.00 56.10 55.64 1mr5 s TRP 217 Cb 0.04 -0.59 -0.01 0.00 -1.15 0.00 0.00 33.47 31.76 1mr5 s TRP 217 CO 0.08 0.01 0.07 0.15 0.02 0.00 0.00 176.95 177.28 1mr5 s LYS 218 N -3.12 0.44 -0.10 4.98 1.02 0.27 -4.91 119.74 118.32 1mr5 s LYS 218 Ca 0.09 -0.54 -0.03 0.00 0.02 0.00 0.00 55.97 55.51 1mr5 s LYS 218 Cb -0.01 0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 37.44 1mr5 s LYS 218 CO -0.00 -0.10 0.01 -0.06 -0.92 0.00 0.00 175.35 174.28 1mr5 s PHE 219 N -1.64 3.20 0.55 3.18 0.40 -1.26 -0.69 117.98 121.71 1mr5 s PHE 219 Ca -0.13 0.20 -0.20 0.00 -0.60 0.00 0.00 56.93 56.20 1mr5 s PHE 219 Cb -0.07 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.58 1mr5 s PHE 219 CO -0.00 0.46 1.16 0.20 0.70 0.00 0.00 175.22 177.74 1mr5 s GLY 220 N -0.79 2.69 0.39 4.36 0.00 -0.55 -4.93 107.32 108.49 1mr5 s GLY 220 Ca 0.12 0.91 0.21 0.00 0.00 0.00 0.00 44.72 45.97 1mr5 s GLY 220 CO 0.02 1.29 1.66 1.70 0.00 0.00 0.00 173.10 177.77 1mr5 h LYS 221 N 1.20 0.00 0.00 2.90 3.64 -1.71 -3.44 116.57 119.16 1mr5 h LYS 221 Ca -0.50 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.57 1mr5 h LYS 221 Cb 1.27 0.00 0.13 0.00 -0.41 0.00 0.00 32.23 33.22 1mr5 h LYS 221 CO 0.57 0.25 0.30 0.41 -2.27 0.00 0.00 179.45 178.71 1mr5 n GLY 222 N 0.74 -1.37 3.59 5.01 0.00 -0.32 -4.74 105.19 108.10 1mr5 n GLY 222 Ca 0.02 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 1mr5 n GLY 222 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mr5 s ARG 223 N -5.07 0.35 0.86 1.61 1.70 -1.26 -4.77 118.95 112.37 1mr5 s ARG 223 Ca 0.54 -0.11 -0.15 0.00 -0.47 0.00 0.00 55.73 55.54 1mr5 s ARG 223 Cb -0.01 0.16 0.21 0.00 -0.57 0.00 0.00 34.95 34.74 1mr5 s ARG 223 CO 0.38 -0.15 0.81 -1.13 -1.08 0.00 0.00 175.30 174.13 1mr5 n SER 224 N -0.03 -1.58 -4.73 -2.89 3.41 -0.89 -4.81 113.62 102.09 1mr5 n SER 224 Ca -0.01 -1.02 -0.30 0.00 -0.26 0.00 0.00 58.87 57.28 1mr5 n SER 224 Cb 0.58 -0.72 0.13 0.00 -0.26 0.00 0.00 64.21 63.94 1mr5 n SER 224 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mr5 s ALA 225 N -3.12 1.73 0.41 7.33 0.00 -1.26 -4.77 121.76 122.07 1mr5 s ALA 225 Ca 0.51 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 52.28 1mr5 s ALA 225 Cb -0.05 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1mr5 s ALA 225 CO 0.39 -2.21 1.09 -0.06 0.00 0.00 0.00 175.76 174.97 1mr5 s PHE 226 N -2.91 3.18 0.00 0.00 0.40 -1.26 -3.26 117.98 114.12 1mr5 s PHE 226 Ca 0.63 1.61 0.00 0.00 -0.60 0.00 0.00 56.93 58.57 1mr5 s PHE 226 Cb -0.18 -3.22 0.00 0.00 0.51 0.00 0.00 43.02 40.13 1mr5 s PHE 226 CO 0.57 -0.89 0.00 0.41 0.70 0.00 0.00 175.22 176.01 1mr5 n GLY 227 N 0.43 0.37 3.56 4.36 0.00 0.53 -4.99 105.19 109.46 1mr5 n GLY 227 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1mr5 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr5 n SER 229 N 6.08 3.20 -3.53 0.00 3.41 0.40 -2.63 113.62 120.56 1mr5 n SER 229 Ca -0.01 -3.13 -0.16 0.00 -0.26 0.00 0.00 58.87 55.31 1mr5 n SER 229 Cb 0.48 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1mr5 n SER 229 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1mr5 n GLU 230 N -1.46 -0.68 -2.41 4.33 1.02 -1.26 -1.78 120.64 118.40 1mr5 n GLU 230 Ca -0.15 -0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.61 1mr5 n GLU 230 Cb 0.64 -0.65 -0.02 0.00 -0.02 0.00 0.00 31.44 31.39 1mr5 n GLU 230 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1mr5 s PRO 231 N -4.85 3.71 -0.03 3.49 0.04 -1.26 -4.21 135.00 131.89 1mr5 s PRO 231 Ca 0.12 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.71 1mr5 s PRO 231 Cb -0.07 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1mr5 s PRO 231 CO 0.39 -0.54 -0.10 0.54 0.04 0.00 0.00 177.00 177.34 1mr5 s VAL 232 N -1.80 0.86 0.13 -0.36 0.11 0.42 -4.22 120.40 115.55 1mr5 s VAL 232 Ca 0.67 -0.41 0.06 0.00 -2.93 0.00 0.00 61.98 59.37 1mr5 s VAL 232 Cb -0.21 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1mr5 s VAL 232 CO 0.25 0.26 -0.14 0.00 -3.33 0.00 0.00 175.10 172.15 1mr5 s ALA 233 N 0.14 1.56 0.14 1.54 0.00 -1.26 0.25 121.76 124.14 1mr5 s ALA 233 Ca -0.03 -1.36 -0.09 0.00 0.00 0.00 0.00 51.96 50.49 1mr5 s ALA 233 Cb -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1mr5 s ALA 233 CO 0.01 0.08 0.25 -0.48 0.00 0.00 0.00 175.76 175.62 1mr5 s LEU 234 N -2.63 1.10 -0.16 0.00 0.05 -0.91 -4.71 118.68 111.42 1mr5 s LEU 234 Ca 0.11 -0.82 -0.05 0.00 0.05 0.00 0.00 54.13 53.42 1mr5 s LEU 234 Cb -0.04 1.13 -0.03 0.00 -2.05 0.00 0.00 46.19 45.20 1mr5 s LEU 234 CO 0.03 -0.85 0.01 -0.70 -0.55 0.00 0.00 176.35 174.30 1mr5 s GLU 235 N -3.94 3.70 -0.13 1.48 2.12 -1.26 0.27 118.70 120.93 1mr5 s GLU 235 Ca 0.14 -0.42 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 1mr5 s GLU 235 Cb 0.04 -3.03 0.06 0.00 0.26 0.00 0.00 34.13 31.46 1mr5 s GLU 235 CO -0.03 0.34 0.18 -0.46 -0.54 0.00 0.00 175.26 174.75 1mr5 s TRP 236 N 0.14 -0.20 -1.51 5.30 -0.11 0.71 -4.86 118.94 118.42 1mr5 s TRP 236 Ca 0.02 0.45 -0.08 0.00 1.22 0.00 0.00 56.10 57.71 1mr5 s TRP 236 Cb -0.13 -0.31 0.06 0.00 -1.50 0.00 0.00 33.47 31.59 1mr5 s TRP 236 CO 0.02 -0.40 0.66 0.39 -4.62 0.00 0.00 176.95 173.00 1mr5 n GLU 237 N 5.32 -3.87 -0.42 5.86 1.02 -1.26 -1.25 120.64 126.05 1mr5 n GLU 237 Ca -0.05 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1mr5 n GLU 237 Cb 0.50 -4.95 0.00 0.00 -0.02 0.00 0.00 31.44 26.97 1mr5 n GLU 237 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mr5 n GLY 238 N -1.72 0.72 3.34 0.62 0.00 -1.26 -5.05 105.19 101.83 1mr5 n GLY 238 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1mr5 n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mr5 s LYS 239 N -0.58 1.26 0.06 1.61 1.02 -0.38 -4.72 119.74 118.01 1mr5 s LYS 239 Ca 0.00 -1.27 -0.27 0.00 0.02 0.00 0.00 55.97 54.45 1mr5 s LYS 239 Cb 0.00 -1.59 -0.05 0.00 -0.52 0.00 0.00 37.83 35.66 1mr5 s LYS 239 CO 0.00 0.37 0.86 -0.51 -0.92 0.00 0.00 175.35 175.14 1mr5 s LEU 240 N -2.08 4.46 -0.28 3.17 1.43 0.39 -0.20 118.68 125.57 1mr5 s LEU 240 Ca 0.11 1.59 -0.05 0.00 -1.03 0.00 0.00 54.13 54.75 1mr5 s LEU 240 Cb -0.10 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.75 1mr5 s LEU 240 CO 0.05 -0.04 0.03 -0.63 0.23 0.00 0.00 176.35 176.00 1mr5 s ILE 241 N 0.07 3.62 -0.36 -0.59 -1.09 0.14 -1.54 121.20 121.45 1mr5 s ILE 241 Ca 0.43 -0.78 -0.10 0.00 -2.23 0.00 0.00 60.65 57.97 1mr5 s ILE 241 Cb -0.22 -2.85 0.03 0.00 -1.58 0.00 0.00 42.46 37.85 1mr5 s ILE 241 CO 0.26 0.13 0.18 -0.63 -1.23 0.00 0.00 174.94 173.65 1mr5 s ILE 242 N 1.45 4.40 -0.27 2.92 1.09 0.58 -2.15 121.20 129.22 1mr5 s ILE 242 Ca 0.02 -0.89 -0.10 0.00 -1.10 0.00 0.00 60.65 58.58 1mr5 s ILE 242 Cb -0.17 -3.45 -0.04 0.00 -1.06 0.00 0.00 42.46 37.74 1mr5 s ILE 242 CO 0.00 -0.20 0.16 0.21 -0.10 0.00 0.00 174.94 175.01 1mr5 s ASN 243 N 1.52 5.81 0.10 3.58 3.84 0.14 -1.46 114.94 128.48 1mr5 s ASN 243 Ca 0.01 -0.06 0.08 0.00 0.21 0.00 0.00 52.86 53.11 1mr5 s ASN 243 Cb -0.19 -2.07 -0.04 0.00 -0.55 0.00 0.00 41.25 38.40 1mr5 s ASN 243 CO 0.06 -0.05 -0.18 0.42 -2.79 0.00 0.00 177.10 174.56 1mr5 s THR 244 N 1.73 2.87 -0.07 -5.21 -4.23 -0.80 -0.44 115.64 109.49 1mr5 s THR 244 Ca 0.07 -1.43 -0.21 0.00 -1.18 0.00 0.00 61.69 58.94 1mr5 s THR 244 Cb -0.16 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1mr5 s THR 244 CO 0.09 0.14 0.59 -0.60 -0.54 0.00 0.00 174.62 174.31 1mr5 s ARG 245 N -2.02 4.37 -0.23 3.99 3.52 -0.73 -3.51 118.95 124.34 1mr5 s ARG 245 Ca 0.18 0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 56.45 1mr5 s ARG 245 Cb -0.11 -3.42 0.07 0.00 -1.56 0.00 0.00 34.95 29.94 1mr5 s ARG 245 CO 0.09 0.17 0.04 0.08 -0.81 0.00 0.00 175.30 174.88 1mr5 s VAL 246 N 0.49 0.76 0.30 7.11 1.01 -1.26 -0.45 120.40 128.36 1mr5 s VAL 246 Ca 0.32 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1mr5 s VAL 246 Cb -0.17 -1.30 -0.12 0.00 0.00 0.00 0.00 36.38 34.79 1mr5 s VAL 246 CO 0.15 -0.31 1.59 0.47 0.00 0.00 0.00 175.10 177.00 1mr5 n ASP 247 N 4.94 3.89 -0.64 3.32 10.43 -1.26 -2.67 116.55 134.56 1mr5 n ASP 247 Ca -0.08 1.16 -0.08 0.00 2.57 0.00 0.00 54.79 58.35 1mr5 n ASP 247 Cb 0.45 -1.60 -0.04 0.00 1.84 0.00 0.00 41.12 41.78 1mr5 n ASP 247 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1mr5 n TYR 248 N 1.98 0.00 -3.89 1.24 4.02 0.17 -4.89 117.16 115.80 1mr5 n TYR 248 Ca 0.08 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.88 1mr5 n TYR 248 Cb 0.37 -1.82 -0.05 0.00 -0.02 0.00 0.00 39.34 37.83 1mr5 n TYR 248 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1mr5 s ARG 249 N -2.49 1.44 0.51 -0.72 1.81 -1.09 -4.50 118.95 113.90 1mr5 s ARG 249 Ca 0.00 -1.08 -0.21 0.00 -1.72 0.00 0.00 55.73 52.73 1mr5 s ARG 249 Cb 0.00 0.48 -0.07 0.00 -0.45 0.00 0.00 34.95 34.92 1mr5 s ARG 249 CO 0.00 -0.60 1.12 1.03 -0.68 0.00 0.00 175.30 176.17 1mr5 s ARG 250 N -3.95 3.57 0.26 3.54 0.52 -1.26 -4.41 118.95 117.22 1mr5 s ARG 250 Ca 0.16 1.61 -0.30 0.00 -0.52 0.00 0.00 55.73 56.68 1mr5 s ARG 250 Cb -0.01 -2.15 -0.10 0.00 0.52 0.00 0.00 34.95 33.21 1mr5 s ARG 250 CO 0.03 -0.67 1.48 1.03 0.02 0.00 0.00 175.30 177.19 1mr5 s ARG 251 N -3.09 4.23 -0.17 3.54 0.52 -0.69 -4.68 118.95 118.61 1mr5 s ARG 251 Ca 0.69 2.38 -0.11 0.00 -0.52 0.00 0.00 55.73 58.16 1mr5 s ARG 251 Cb -0.24 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 1mr5 s ARG 251 CO 0.28 -0.48 0.20 -0.51 0.02 0.00 0.00 175.30 174.81 1mr5 s LEU 252 N -0.42 4.24 -0.08 2.53 1.43 -1.23 -0.89 118.68 124.26 1mr5 s LEU 252 Ca 0.60 0.37 0.05 0.00 -1.03 0.00 0.00 54.13 54.12 1mr5 s LEU 252 Cb -0.43 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.57 1mr5 s LEU 252 CO 0.45 0.17 -0.24 -0.69 0.23 0.00 0.00 176.35 176.26 1mr5 s VAL 253 N 0.27 2.07 0.28 -1.59 1.01 -1.26 -1.91 120.40 119.28 1mr5 s VAL 253 Ca 0.12 -1.04 0.12 0.00 0.00 0.00 0.00 61.98 61.18 1mr5 s VAL 253 Cb -0.12 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1mr5 s VAL 253 CO 0.01 0.56 -0.18 -0.31 0.00 0.00 0.00 175.10 175.18 1mr5 s TYR 254 N 0.11 2.33 -0.03 5.22 1.51 -0.53 0.97 117.35 126.94 1mr5 s TYR 254 Ca -0.12 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 1mr5 s TYR 254 Cb -0.16 -1.01 -0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1mr5 s TYR 254 CO 0.07 0.70 -0.19 -1.21 -1.11 0.00 0.00 175.55 173.81 1mr5 s GLU 255 N -3.51 1.68 -0.05 -0.62 2.02 0.97 -0.31 118.70 118.89 1mr5 s GLU 255 Ca 0.30 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 1mr5 s GLU 255 Cb -0.05 -1.55 0.04 0.00 0.10 0.00 0.00 34.13 32.66 1mr5 s GLU 255 CO 0.15 0.36 0.09 0.45 0.02 0.00 0.00 175.26 176.33 1mr5 s SER 256 N -0.27 0.51 0.00 -0.19 0.15 -0.59 -1.37 113.70 111.94 1mr5 s SER 256 Ca 0.03 0.17 0.25 0.00 0.70 0.00 0.00 55.95 57.10 1mr5 s SER 256 Cb -0.09 0.04 0.51 0.00 -1.71 0.00 0.00 66.02 64.77 1mr5 s SER 256 CO 0.00 -0.20 1.42 -1.20 1.20 0.00 0.00 173.24 174.47 1mr5 n SER 257 N 4.79 1.74 -2.85 5.45 7.64 -1.26 -0.46 113.62 128.66 1mr5 n SER 257 Ca -0.15 -1.38 -0.17 0.00 1.01 0.00 0.00 58.87 58.18 1mr5 n SER 257 Cb 0.50 0.18 -0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1mr5 n SER 257 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1mr5 n ASP 258 N 0.03 2.15 -3.99 6.43 5.68 -1.26 -4.95 116.55 120.64 1mr5 n ASP 258 Ca 0.13 -3.10 -0.27 0.00 -0.50 0.00 0.00 54.79 51.05 1mr5 n ASP 258 Cb 0.43 -0.55 -0.02 0.00 -1.14 0.00 0.00 41.12 39.83 1mr5 n ASP 258 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1mr5 n MET 259 N -0.03 -3.48 -0.97 0.11 2.81 -1.26 -1.50 117.12 112.80 1mr5 n MET 259 Ca 0.22 0.42 0.00 0.00 -1.81 0.00 0.00 57.70 56.53 1mr5 n MET 259 Cb 0.68 -4.72 0.00 0.00 -0.71 0.00 0.00 33.22 28.47 1mr5 n MET 259 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mr5 n GLY 260 N -1.84 0.38 0.28 3.03 0.00 -1.26 -4.02 105.19 101.75 1mr5 n GLY 260 Ca -0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 1mr5 n GLY 260 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1mr5 h ASN 261 N 0.00 0.81 -3.92 1.61 4.21 -1.56 -0.80 115.58 115.92 1mr5 h ASN 261 Ca 0.00 -0.23 -0.49 0.00 1.21 0.00 0.00 56.30 56.79 1mr5 h ASN 261 Cb 0.30 -0.22 -0.31 0.00 -1.12 0.00 0.00 38.32 36.97 1mr5 h ASN 261 CO 0.00 0.91 -0.81 -0.89 -1.29 0.00 0.00 177.43 175.35 1mr5 s THR 262 N -4.87 1.11 -0.00 2.81 2.01 -1.26 -2.75 115.64 112.67 1mr5 s THR 262 Ca -0.10 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 61.43 1mr5 s THR 262 Cb 0.14 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 1mr5 s THR 262 CO 0.82 0.33 -0.25 0.26 -0.69 0.00 0.00 174.62 175.10 1mr5 s TRP 263 N 0.04 2.19 -0.03 4.92 0.52 -1.26 -4.37 118.94 120.94 1mr5 s TRP 263 Ca -0.02 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 55.70 1mr5 s TRP 263 Cb -0.09 -1.39 0.03 0.00 -1.15 0.00 0.00 33.47 30.87 1mr5 s TRP 263 CO 0.01 -0.00 -0.01 -1.17 0.02 0.00 0.00 176.95 175.80 1mr5 s LEU 264 N -0.72 1.19 0.32 2.99 2.96 -0.47 -4.97 118.68 119.97 1mr5 s LEU 264 Ca 0.10 -0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 53.67 1mr5 s LEU 264 Cb -0.09 -0.25 -0.12 0.00 0.50 0.00 0.00 46.19 46.23 1mr5 s LEU 264 CO -0.00 -0.09 1.54 1.21 -1.32 0.00 0.00 176.35 177.69 1mr5 n GLU 265 N 4.12 2.64 -1.20 1.98 2.13 -1.26 -0.02 120.64 129.03 1mr5 n GLU 265 Ca -0.26 0.93 -0.24 0.00 0.66 0.00 0.00 57.16 58.25 1mr5 n GLU 265 Cb 0.50 -2.69 -0.11 0.00 0.27 0.00 0.00 31.44 29.42 1mr5 n GLU 265 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mr5 n ALA 266 N 1.53 6.80 0.13 4.31 0.00 0.27 -4.66 120.51 128.90 1mr5 n ALA 266 Ca 0.06 -2.62 0.08 0.00 0.00 0.00 0.00 53.44 50.97 1mr5 n ALA 266 Cb 0.37 -2.67 0.57 0.00 0.00 0.00 0.00 19.45 17.73 1mr5 n ALA 266 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1mr5 h VAL 267 N 2.35 0.99 -0.15 0.00 -1.51 -1.88 -1.70 116.25 114.36 1mr5 h VAL 267 Ca 0.46 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.86 1mr5 h VAL 267 Cb 0.98 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1mr5 h VAL 267 CO 0.86 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 177.85 1mr5 n GLY 268 N -1.53 -0.11 1.93 5.19 0.00 -1.26 -4.17 105.19 105.24 1mr5 n GLY 268 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1mr5 n GLY 268 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mr5 n THR 269 N -0.00 0.00 0.07 2.61 -2.24 -0.68 -4.80 114.28 109.24 1mr5 n THR 269 Ca 0.12 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.93 1mr5 n THR 269 Cb 0.21 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.39 1mr5 n THR 269 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1mr5 n LEU 270 N -2.45 0.07 -4.75 3.22 4.77 -1.03 -4.71 117.00 112.13 1mr5 n LEU 270 Ca 0.00 -0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.45 1mr5 n LEU 270 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1mr5 n LEU 270 CO 0.00 0.02 1.01 -0.55 -1.33 0.00 0.00 177.39 176.54 1mr5 s SER 271 N -2.53 6.80 0.00 -1.43 0.15 -0.92 -2.53 113.70 113.24 1mr5 s SER 271 Ca -0.01 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.21 1mr5 s SER 271 Cb 0.05 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1mr5 s SER 271 CO 0.29 -0.57 0.00 0.54 1.20 0.00 0.00 173.24 174.70 1mr5 n ARG 272 N 1.87 -0.51 -0.14 5.44 1.74 -0.07 -4.84 116.66 120.15 1mr5 n ARG 272 Ca 0.04 0.13 -0.09 0.00 -0.77 0.00 0.00 57.85 57.15 1mr5 n ARG 272 Cb 0.42 -3.79 -0.01 0.00 -1.02 0.00 0.00 32.46 28.06 1mr5 n ARG 272 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1mr5 h VAL 273 N 0.00 1.23 -3.66 1.55 2.07 -1.68 -3.42 116.25 112.33 1mr5 h VAL 273 Ca 0.00 -0.77 -0.65 0.00 0.82 0.00 0.00 66.70 66.10 1mr5 h VAL 273 Cb 0.26 0.96 -0.16 0.00 -1.52 0.00 0.00 31.29 30.82 1mr5 h VAL 273 CO 0.00 0.27 -0.22 0.26 0.02 0.00 0.00 177.57 177.90 1mr5 s TRP 274 N -5.32 3.21 0.22 1.57 0.51 -1.26 -0.88 118.94 116.99 1mr5 s TRP 274 Ca -0.13 0.11 -0.16 0.00 -2.12 0.00 0.00 56.10 53.80 1mr5 s TRP 274 Cb 0.10 -2.71 -0.08 0.00 -0.81 0.00 0.00 33.47 29.97 1mr5 s TRP 274 CO 0.77 -0.41 0.66 0.20 -0.51 0.00 0.00 176.95 177.66 1mr5 s GLY 275 N 1.72 2.48 0.00 0.98 0.00 -0.41 -1.70 107.32 110.40 1mr5 s GLY 275 Ca 0.14 0.02 0.29 0.00 0.00 0.00 0.00 44.72 45.17 1mr5 s GLY 275 CO 0.12 0.31 1.93 -1.55 0.00 0.00 0.00 173.10 173.90 1mr5 n PRO 276 N 0.44 0.07 -3.72 2.90 -0.04 -1.26 -4.88 135.00 128.51 1mr5 n PRO 276 Ca -0.02 -0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.40 1mr5 n PRO 276 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1mr5 n PRO 276 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1mr5 s SER 277 N -2.93 -0.21 0.32 3.54 1.04 -1.25 -4.43 113.70 109.79 1mr5 s SER 277 Ca 0.16 -0.35 0.10 0.00 0.48 0.00 0.00 55.95 56.35 1mr5 s SER 277 Cb 0.19 0.48 0.96 0.00 0.10 0.00 0.00 66.02 67.75 1mr5 s SER 277 CO 0.53 -0.87 1.67 -0.65 0.98 0.00 0.00 173.24 174.90 1mr5 h PRO 278 N 2.00 0.33 -0.48 4.02 0.11 -1.79 0.24 132.00 136.42 1mr5 h PRO 278 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1mr5 h PRO 278 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1mr5 h PRO 278 CO 0.26 0.22 0.00 1.63 -0.21 0.00 0.00 178.00 179.90 1mr5 n LYS 279 N -5.07 2.53 -4.14 1.05 5.02 -1.26 -4.31 118.16 111.98 1mr5 n LYS 279 Ca 0.28 -2.33 -0.34 0.00 -2.02 0.00 0.00 58.31 53.90 1mr5 n LYS 279 Cb 0.87 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.38 1mr5 n LYS 279 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1mr5 n SER 280 N 1.37 -3.23 -0.98 4.39 7.64 0.85 -4.86 113.62 118.80 1mr5 n SER 280 Ca 0.19 -0.97 0.05 0.00 1.01 0.00 0.00 58.87 59.15 1mr5 n SER 280 Cb 0.57 -2.98 0.11 0.00 -1.01 0.00 0.00 64.21 60.89 1mr5 n SER 280 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1mr5 n ASN 281 N -2.72 1.32 -4.06 6.43 6.94 -1.26 -3.67 115.26 118.24 1mr5 n ASN 281 Ca 0.03 -2.88 -0.24 0.00 -0.02 0.00 0.00 54.58 51.47 1mr5 n ASN 281 Cb 0.52 -0.40 -0.08 0.00 -2.36 0.00 0.00 39.78 37.45 1mr5 n ASN 281 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1mr5 s GLN 282 N -1.55 1.85 0.41 -3.83 -1.52 -1.26 -4.79 119.66 108.96 1mr5 s GLN 282 Ca 0.34 -2.11 -0.27 0.00 -1.95 0.00 0.00 55.36 51.37 1mr5 s GLN 282 Cb 0.35 -0.47 -0.10 0.00 -0.22 0.00 0.00 33.01 32.58 1mr5 s GLN 282 CO -0.11 -0.47 1.43 -2.14 -0.25 0.00 0.00 175.29 173.75 1mr5 s PRO 283 N -3.72 3.94 0.00 2.91 0.02 -1.26 0.44 135.00 137.34 1mr5 s PRO 283 Ca 0.28 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1mr5 s PRO 283 Cb 0.03 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.73 1mr5 s PRO 283 CO 0.16 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 1mr5 n GLY 284 N 0.56 -0.18 3.39 0.52 0.00 -1.26 -4.79 105.19 103.42 1mr5 n GLY 284 Ca 0.03 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1mr5 n GLY 284 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mr5 s SER 285 N -1.00 -0.02 0.56 1.61 0.15 -1.26 -4.98 113.70 108.76 1mr5 s SER 285 Ca 0.00 -0.82 -0.18 0.00 0.70 0.00 0.00 55.95 55.64 1mr5 s SER 285 Cb 0.00 0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 1mr5 s SER 285 CO 0.00 -0.94 1.10 -1.58 1.20 0.00 0.00 173.24 173.03 1mr5 s GLN 286 N -3.96 3.31 -0.01 5.44 -0.44 -1.26 -4.66 119.66 118.07 1mr5 s GLN 286 Ca 0.17 1.49 -0.04 0.00 -2.50 0.00 0.00 55.36 54.47 1mr5 s GLN 286 Cb 0.02 -2.01 0.00 0.00 -1.64 0.00 0.00 33.01 29.38 1mr5 s GLN 286 CO 0.01 -0.86 0.09 -1.12 0.50 0.00 0.00 175.29 173.90 1mr5 s SER 287 N -2.07 0.00 0.01 6.67 0.01 -1.26 -4.66 113.70 112.40 1mr5 s SER 287 Ca 0.70 -0.06 -0.17 0.00 1.31 0.00 0.00 55.95 57.72 1mr5 s SER 287 Cb -0.21 0.19 -0.06 0.00 0.21 0.00 0.00 66.02 66.15 1mr5 s SER 287 CO 0.30 -0.20 0.49 -0.55 0.41 0.00 0.00 173.24 173.69 1mr5 s SER 288 N -0.71 6.91 -0.28 2.44 0.15 -1.23 -4.87 113.70 116.10 1mr5 s SER 288 Ca -0.08 1.08 0.02 0.00 0.70 0.00 0.00 55.95 57.67 1mr5 s SER 288 Cb -0.05 -2.31 0.17 0.00 -1.71 0.00 0.00 66.02 62.12 1mr5 s SER 288 CO 0.00 0.25 0.46 0.12 1.20 0.00 0.00 173.24 175.28 1mr5 s PHE 289 N -0.83 -1.24 0.11 3.44 5.36 -1.25 -1.74 117.98 121.83 1mr5 s PHE 289 Ca 0.27 0.69 0.04 0.00 -0.96 0.00 0.00 56.93 56.97 1mr5 s PHE 289 Cb -0.18 0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.51 1mr5 s PHE 289 CO 0.15 -0.97 -0.11 0.95 -1.46 0.00 0.00 175.22 173.78 1mr5 s THR 290 N 2.64 1.08 -0.22 0.12 -4.23 -0.90 -4.58 115.64 109.55 1mr5 s THR 290 Ca 0.11 -1.67 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 1mr5 s THR 290 Cb -0.12 -1.42 -0.04 0.00 1.34 0.00 0.00 72.50 72.26 1mr5 s THR 290 CO -0.27 -0.51 0.07 0.00 -0.54 0.00 0.00 174.62 173.38 1mr5 s ALA 291 N -2.34 3.30 0.22 3.99 0.00 -1.26 -1.25 121.76 124.42 1mr5 s ALA 291 Ca 0.07 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 1mr5 s ALA 291 Cb -0.04 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1mr5 s ALA 291 CO 0.01 -0.14 0.12 0.14 0.00 0.00 0.00 175.76 175.89 1mr5 s VAL 292 N 0.97 0.23 -0.15 0.00 -7.23 0.12 -4.98 120.40 109.37 1mr5 s VAL 292 Ca 0.04 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1mr5 s VAL 292 Cb -0.14 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 1mr5 s VAL 292 CO 0.03 -0.00 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.89 1mr5 s THR 293 N -3.99 3.96 -0.09 5.32 2.01 -1.26 -0.12 115.64 121.46 1mr5 s THR 293 Ca 0.38 -0.34 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 1mr5 s THR 293 Cb 0.07 -2.72 0.04 0.00 0.01 0.00 0.00 72.50 69.90 1mr5 s THR 293 CO 0.13 0.51 0.05 -0.63 -0.69 0.00 0.00 174.62 173.98 1mr5 s ILE 294 N 0.20 0.09 -1.30 1.82 1.01 0.11 -4.85 121.20 118.27 1mr5 s ILE 294 Ca -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 1mr5 s ILE 294 Cb -0.14 -0.44 -0.00 0.00 0.01 0.00 0.00 42.46 41.89 1mr5 s ILE 294 CO 0.03 0.05 0.71 -0.62 0.00 0.00 0.00 174.94 175.11 1mr5 n GLU 295 N 5.23 -5.00 -0.06 2.79 -0.58 -1.26 -2.04 120.64 119.73 1mr5 n GLU 295 Ca -0.06 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 1mr5 n GLU 295 Cb 0.49 -5.21 0.00 0.00 -0.57 0.00 0.00 31.44 26.15 1mr5 n GLU 295 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mr5 n GLY 296 N -1.55 2.62 3.58 0.62 0.00 -1.26 -5.02 105.19 104.19 1mr5 n GLY 296 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1mr5 n GLY 296 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1mr5 s MET 297 N -0.01 3.92 -0.04 1.61 0.00 -0.86 -5.07 119.30 118.85 1mr5 s MET 297 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 55.69 55.04 1mr5 s MET 297 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 34.83 31.34 1mr5 s MET 297 CO 0.00 -0.03 1.18 0.50 0.00 0.00 0.00 175.02 176.67 1mr5 s ARG 298 N 1.26 4.38 0.25 4.11 6.06 -1.26 -0.71 118.95 133.03 1mr5 s ARG 298 Ca 0.06 1.65 -0.08 0.00 -2.50 0.00 0.00 55.73 54.86 1mr5 s ARG 298 Cb -0.14 -3.52 -0.01 0.00 0.06 0.00 0.00 34.95 31.33 1mr5 s ARG 298 CO 0.05 -0.39 0.39 0.14 -2.50 0.00 0.00 175.30 172.99 1mr5 s VAL 299 N 1.98 0.00 -0.03 7.11 -7.23 0.83 -4.84 120.40 118.23 1mr5 s VAL 299 Ca 0.55 -1.58 0.07 0.00 -1.81 0.00 0.00 61.98 59.22 1mr5 s VAL 299 Cb -0.25 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 1mr5 s VAL 299 CO 0.23 0.00 -0.24 -0.04 -0.31 0.00 0.00 175.10 174.74 1mr5 s MET 300 N -3.92 2.18 -0.06 4.82 -1.94 0.02 0.12 119.30 120.53 1mr5 s MET 300 Ca 0.28 -0.89 0.03 0.00 -1.71 0.00 0.00 55.69 53.40 1mr5 s MET 300 Cb 0.01 -2.10 -0.02 0.00 2.01 0.00 0.00 34.83 34.73 1mr5 s MET 300 CO 0.11 0.57 -0.15 -0.51 -0.01 0.00 0.00 175.02 175.04 1mr5 s LEU 301 N -0.63 2.70 -0.07 -0.03 1.43 -0.38 -1.88 118.68 119.81 1mr5 s LEU 301 Ca 0.10 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1mr5 s LEU 301 Cb -0.10 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.61 1mr5 s LEU 301 CO -0.01 0.32 0.16 0.12 0.23 0.00 0.00 176.35 177.18 1mr5 s PHE 302 N -0.60 -0.19 0.03 0.29 5.36 0.03 -2.12 117.98 120.78 1mr5 s PHE 302 Ca 0.09 0.52 0.09 0.00 -0.96 0.00 0.00 56.93 56.67 1mr5 s PHE 302 Cb -0.11 -0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.49 1mr5 s PHE 302 CO 0.01 -0.17 -0.25 0.95 -1.46 0.00 0.00 175.22 174.30 1mr5 s THR 303 N 1.11 2.04 -0.12 0.12 -4.23 -0.71 -0.05 115.64 113.80 1mr5 s THR 303 Ca -0.09 -1.29 -0.25 0.00 -1.18 0.00 0.00 61.69 58.88 1mr5 s THR 303 Cb -0.11 -1.73 0.06 0.00 1.34 0.00 0.00 72.50 72.06 1mr5 s THR 303 CO -0.06 0.39 0.61 -2.28 -0.54 0.00 0.00 174.62 172.75 1mr5 s HIS 304 N -0.75 -0.61 0.41 3.99 5.04 -0.72 -3.50 115.29 119.15 1mr5 s HIS 304 Ca 0.11 1.24 -0.23 0.00 -1.54 0.00 0.00 55.06 54.64 1mr5 s HIS 304 Cb -0.10 0.30 -0.10 0.00 0.04 0.00 0.00 32.58 32.73 1mr5 s HIS 304 CO 0.01 -0.47 0.99 -1.25 -2.34 0.00 0.00 174.74 171.68 1mr5 s PRO 305 N -0.61 4.21 0.37 2.88 0.04 -1.26 -0.31 135.00 140.31 1mr5 s PRO 305 Ca -0.07 1.31 0.18 0.00 0.04 0.00 0.00 61.00 62.46 1mr5 s PRO 305 Cb -0.02 -2.39 0.67 0.00 0.04 0.00 0.00 34.50 32.80 1mr5 s PRO 305 CO 0.06 -0.07 1.73 -0.07 0.04 0.00 0.00 177.00 178.69 1mr5 h LEU 306 N 2.26 0.00 -1.42 -3.56 3.38 -0.77 -3.45 115.31 111.75 1mr5 h LEU 306 Ca -0.48 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.05 1mr5 h LEU 306 Cb 1.20 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.98 1mr5 h LEU 306 CO 0.62 0.38 -0.79 -3.20 0.09 0.00 0.00 178.44 175.54 1mr5 n ASN 307 N -3.57 -2.88 -0.15 -0.43 5.15 -0.32 -3.95 115.26 109.11 1mr5 n ASN 307 Ca -0.00 -0.78 0.14 0.00 -0.60 0.00 0.00 54.58 53.33 1mr5 n ASN 307 Cb 0.51 -4.09 0.49 0.00 -0.53 0.00 0.00 39.78 36.16 1mr5 n ASN 307 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1mr5 h PHE 308 N -2.01 0.51 -0.01 1.20 0.05 -1.92 -2.69 116.94 112.06 1mr5 h PHE 308 Ca -0.60 0.01 -0.18 0.00 3.82 0.00 0.00 57.97 61.03 1mr5 h PHE 308 Cb 1.37 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 39.14 1mr5 h PHE 308 CO 0.51 0.21 -0.79 0.87 -0.18 0.00 0.00 178.31 178.92 1mr5 h LYS 309 N 0.45 0.17 0.00 1.51 1.57 -1.89 -3.48 116.57 114.90 1mr5 h LYS 309 Ca 0.35 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1mr5 h LYS 309 Cb 0.74 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1mr5 h LYS 309 CO -0.11 0.87 0.00 0.41 -0.57 0.00 0.00 179.45 180.05 1mr5 n GLY 310 N 0.69 -3.73 7.00 3.86 0.00 -1.02 -4.99 105.19 107.00 1mr5 n GLY 310 Ca -0.03 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1mr5 n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mr5 n ARG 311 N -0.21 0.00 0.00 1.61 5.12 -1.26 -2.43 116.66 119.50 1mr5 n ARG 311 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 1mr5 n ARG 311 Cb 0.00 0.00 0.22 0.00 -1.16 0.00 0.00 32.46 31.52 1mr5 n ARG 311 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 1mr5 n TRP 312 N 14.00 0.00 -0.22 -1.55 8.01 -1.26 -4.07 117.44 132.35 1mr5 n TRP 312 Ca 0.00 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.18 1mr5 n TRP 312 Cb 0.00 -0.02 0.11 0.00 -2.01 0.00 0.00 31.31 29.38 1mr5 n TRP 312 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 1mr5 h LEU 313 N 2.89 0.41 -2.54 -0.99 3.38 -1.86 -3.47 115.31 113.13 1mr5 h LEU 313 Ca 0.00 0.05 -0.37 0.00 0.09 0.00 0.00 57.88 57.65 1mr5 h LEU 313 Cb 0.73 -0.02 0.11 0.00 0.09 0.00 0.00 40.66 41.57 1mr5 h LEU 313 CO 0.00 0.25 -0.88 0.54 0.09 0.00 0.00 178.44 178.44 1mr5 n ARG 314 N -4.88 -2.70 -1.79 1.13 1.74 -1.26 -3.78 116.66 105.12 1mr5 n ARG 314 Ca 0.09 0.64 -0.32 0.00 -0.77 0.00 0.00 57.85 57.49 1mr5 n ARG 314 Cb 0.23 -4.98 0.03 0.00 -1.02 0.00 0.00 32.46 26.72 1mr5 n ARG 314 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1mr5 s ASP 315 N -3.72 5.64 -0.32 0.55 1.47 -1.26 -1.44 116.67 117.59 1mr5 s ASP 315 Ca 0.32 1.66 -0.02 0.00 1.18 0.00 0.00 52.55 55.70 1mr5 s ASP 315 Cb -0.08 -2.51 -0.02 0.00 -0.34 0.00 0.00 42.92 39.97 1mr5 s ASP 315 CO 0.81 -1.26 0.29 0.54 0.68 0.00 0.00 175.17 176.22 1mr5 n ARG 316 N -2.66 -0.68 -1.74 2.11 1.74 -1.24 -1.18 116.66 113.01 1mr5 n ARG 316 Ca 0.08 0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 57.09 1mr5 n ARG 316 Cb 0.53 -2.89 -0.03 0.00 -1.02 0.00 0.00 32.46 29.06 1mr5 n ARG 316 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1mr5 s LEU 317 N -3.62 4.20 0.09 0.55 2.96 -1.26 -0.61 118.68 121.00 1mr5 s LEU 317 Ca 0.13 2.39 0.08 0.00 -0.22 0.00 0.00 54.13 56.51 1mr5 s LEU 317 Cb -0.02 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1mr5 s LEU 317 CO 0.24 -1.22 -0.17 0.20 -1.32 0.00 0.00 176.35 174.08 1mr5 s ASN 318 N 4.98 3.94 -0.02 3.68 0.01 0.57 0.32 114.94 128.41 1mr5 s ASN 318 Ca 0.87 -0.48 0.05 0.00 -0.71 0.00 0.00 52.86 52.59 1mr5 s ASN 318 Cb -0.38 -0.62 -0.03 0.00 0.41 0.00 0.00 41.25 40.63 1mr5 s ASN 318 CO 0.38 0.21 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.80 1mr5 s LEU 319 N -1.88 2.66 0.09 0.60 2.96 -0.66 -1.75 118.68 120.69 1mr5 s LEU 319 Ca 0.17 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1mr5 s LEU 319 Cb -0.11 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1mr5 s LEU 319 CO 0.09 0.32 -0.14 0.26 -1.32 0.00 0.00 176.35 175.55 1mr5 s TRP 320 N -0.78 1.28 -0.08 5.38 0.52 0.93 -0.42 118.94 125.77 1mr5 s TRP 320 Ca 0.12 -0.50 0.02 0.00 0.02 0.00 0.00 56.10 55.76 1mr5 s TRP 320 Cb -0.11 -0.70 0.01 0.00 -1.15 0.00 0.00 33.47 31.53 1mr5 s TRP 320 CO 0.02 0.08 -0.13 -1.17 0.02 0.00 0.00 176.95 175.77 1mr5 s LEU 321 N -2.01 1.64 -0.04 2.99 2.96 -0.23 -0.79 118.68 123.20 1mr5 s LEU 321 Ca 0.02 -0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 1mr5 s LEU 321 Cb -0.08 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.72 1mr5 s LEU 321 CO 0.02 0.02 0.20 0.28 -1.32 0.00 0.00 176.35 175.55 1mr5 s THR 322 N 0.79 0.04 -0.27 3.68 -1.32 -0.79 -0.22 115.64 117.55 1mr5 s THR 322 Ca -0.12 -0.35 0.12 0.00 -1.21 0.00 0.00 61.69 60.13 1mr5 s THR 322 Cb -0.16 -0.40 0.67 0.00 -1.51 0.00 0.00 72.50 71.11 1mr5 s THR 322 CO 0.02 -0.19 1.66 -0.90 -2.21 0.00 0.00 174.62 173.00 1mr5 n ASP 323 N 2.11 4.40 0.00 8.08 3.85 -1.15 -0.80 116.55 133.05 1mr5 n ASP 323 Ca -0.18 -3.21 0.00 0.00 -0.71 0.00 0.00 54.79 50.69 1mr5 n ASP 323 Cb 0.57 -0.67 0.00 0.00 -1.35 0.00 0.00 41.12 39.67 1mr5 n ASP 323 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1mr5 n ASN 324 N -0.29 -3.07 0.08 -1.12 4.05 -1.26 -4.66 115.26 109.00 1mr5 n ASN 324 Ca 0.33 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.36 1mr5 n ASN 324 Cb 1.19 -1.27 0.00 0.00 1.23 0.00 0.00 39.78 40.93 1mr5 n ASN 324 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1mr5 n GLN 325 N -1.83 0.00 -3.64 1.20 6.02 -1.26 -4.91 117.38 112.96 1mr5 n GLN 325 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1mr5 n GLN 325 Cb 0.12 -0.16 -0.05 0.00 1.02 0.00 0.00 30.24 31.18 1mr5 n GLN 325 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1mr5 s ARG 326 N -1.74 3.62 -0.09 -1.09 0.52 -1.26 -4.84 118.95 114.06 1mr5 s ARG 326 Ca 0.00 -0.08 -0.01 0.00 -0.52 0.00 0.00 55.73 55.11 1mr5 s ARG 326 Cb 0.00 -2.82 0.03 0.00 0.52 0.00 0.00 34.95 32.67 1mr5 s ARG 326 CO 0.00 0.44 -0.02 0.42 0.02 0.00 0.00 175.30 176.16 1mr5 s ILE 327 N -1.71 0.61 -0.03 1.52 1.01 -1.26 -2.92 121.20 118.41 1mr5 s ILE 327 Ca 0.41 -0.06 0.07 0.00 0.00 0.00 0.00 60.65 61.07 1mr5 s ILE 327 Cb -0.12 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 1mr5 s ILE 327 CO 0.25 0.26 -0.25 -0.47 0.00 0.00 0.00 174.94 174.74 1mr5 s TYR 328 N 1.88 2.39 -0.66 3.97 5.04 0.70 -4.80 117.35 125.86 1mr5 s TYR 328 Ca 0.05 -0.49 -0.24 0.00 -2.44 0.00 0.00 57.07 53.95 1mr5 s TYR 328 Cb -0.13 -1.54 0.06 0.00 0.35 0.00 0.00 41.96 40.70 1mr5 s TYR 328 CO -0.06 -0.07 1.03 1.21 -1.34 0.00 0.00 175.55 176.32 1mr5 s ASN 329 N -0.50 6.19 0.18 4.32 3.84 -1.26 -1.07 114.94 126.64 1mr5 s ASN 329 Ca 0.07 -0.78 -0.13 0.00 0.21 0.00 0.00 52.86 52.22 1mr5 s ASN 329 Cb -0.11 -2.45 0.10 0.00 -0.55 0.00 0.00 41.25 38.23 1mr5 s ASN 329 CO 0.00 -1.50 1.84 0.58 -2.79 0.00 0.00 177.10 175.23 1mr5 h VAL 330 N 5.99 1.12 0.00 -5.21 2.07 -1.09 -3.49 116.25 115.65 1mr5 h VAL 330 Ca -0.28 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1mr5 h VAL 330 Cb 1.07 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1mr5 h VAL 330 CO 1.19 0.14 0.00 0.61 0.02 0.00 0.00 177.57 179.53 1mr5 n GLY 331 N -1.26 0.88 3.67 2.17 0.00 -1.16 -4.97 105.19 104.53 1mr5 n GLY 331 Ca 0.04 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 1mr5 n GLY 331 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mr5 s GLN 332 N -1.43 4.35 -0.08 1.61 0.74 -1.26 -1.66 119.66 121.93 1mr5 s GLN 332 Ca 0.00 1.38 -0.21 0.00 0.05 0.00 0.00 55.36 56.58 1mr5 s GLN 332 Cb 0.00 -3.59 -0.29 0.00 1.10 0.00 0.00 33.01 30.23 1mr5 s GLN 332 CO 0.00 -0.46 0.76 0.28 -0.55 0.00 0.00 175.29 175.33 1mr5 h VAL 333 N 5.26 1.38 -3.64 1.34 2.07 -0.48 -3.47 116.25 118.71 1mr5 h VAL 333 Ca -0.25 -2.47 -0.43 0.00 0.82 0.00 0.00 66.70 64.36 1mr5 h VAL 333 Cb 1.11 3.05 0.18 0.00 -1.52 0.00 0.00 31.29 34.10 1mr5 h VAL 333 CO 0.91 0.69 0.14 -0.94 0.02 0.00 0.00 177.57 178.39 1mr5 s SER 334 N -6.92 1.64 -0.12 0.57 1.04 -1.22 -5.02 113.70 103.66 1mr5 s SER 334 Ca -0.16 0.99 -0.02 0.00 0.48 0.00 0.00 55.95 57.24 1mr5 s SER 334 Cb 0.02 -1.52 -0.03 0.00 0.10 0.00 0.00 66.02 64.59 1mr5 s SER 334 CO 0.79 -3.72 -0.04 -0.63 0.98 0.00 0.00 173.24 170.62 1mr5 s ILE 335 N -2.90 3.92 0.00 -1.02 1.01 -1.26 -4.90 121.20 116.06 1mr5 s ILE 335 Ca 0.68 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1mr5 s ILE 335 Cb -0.16 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.63 1mr5 s ILE 335 CO 0.58 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.67 1mr5 n GLY 336 N 2.97 2.60 1.70 6.18 0.00 -1.26 -2.11 105.19 115.28 1mr5 n GLY 336 Ca -0.18 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1mr5 n GLY 336 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mr5 n ASP 337 N 1.40 3.58 -4.76 1.61 5.75 -1.26 -4.69 116.55 118.17 1mr5 n ASP 337 Ca 0.00 -3.73 -0.33 0.00 -0.01 0.00 0.00 54.79 50.71 1mr5 n ASP 337 Cb 0.00 -0.72 0.06 0.00 -1.03 0.00 0.00 41.12 39.43 1mr5 n ASP 337 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1mr5 s GLU 338 N -3.35 2.59 -0.13 0.11 -1.05 -0.89 -4.86 118.70 111.12 1mr5 s GLU 338 Ca 0.51 1.47 -0.28 0.00 -0.15 0.00 0.00 54.97 56.52 1mr5 s GLU 338 Cb 0.44 -1.92 -0.01 0.00 -0.44 0.00 0.00 34.13 32.20 1mr5 s GLU 338 CO 0.04 -1.42 0.92 -0.80 0.95 0.00 0.00 175.26 174.94 1mr5 s ASN 339 N -2.49 7.12 -0.39 0.83 0.01 -1.25 -3.73 114.94 115.04 1mr5 s ASN 339 Ca 0.68 1.38 0.04 0.00 -0.71 0.00 0.00 52.86 54.25 1mr5 s ASN 339 Cb -0.22 -2.51 0.16 0.00 0.41 0.00 0.00 41.25 39.09 1mr5 s ASN 339 CO 0.43 -0.41 0.41 -0.94 -1.51 0.00 0.00 177.10 175.08 1mr5 s SER 340 N 1.10 0.86 -0.05 -1.22 1.04 -0.52 -1.05 113.70 113.86 1mr5 s SER 340 Ca 0.44 -1.77 -0.04 0.00 0.48 0.00 0.00 55.95 55.05 1mr5 s SER 340 Cb -0.18 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1mr5 s SER 340 CO 0.16 -0.22 -0.08 0.00 0.98 0.00 0.00 173.24 174.07 1mr5 n ALA 341 N 3.93 0.20 -2.03 5.32 0.00 -1.23 -4.08 120.51 122.63 1mr5 n ALA 341 Ca 0.14 -0.33 -0.36 0.00 0.00 0.00 0.00 53.44 52.90 1mr5 n ALA 341 Cb 0.47 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 1mr5 n ALA 341 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1mr5 s TYR 342 N -1.47 3.60 0.19 0.00 1.51 -1.26 -4.54 117.35 115.37 1mr5 s TYR 342 Ca -0.07 1.45 -0.18 0.00 -1.01 0.00 0.00 57.07 57.26 1mr5 s TYR 342 Cb 0.01 -2.68 0.03 0.00 -0.11 0.00 0.00 41.96 39.21 1mr5 s TYR 342 CO 0.10 0.25 0.53 -1.54 -1.11 0.00 0.00 175.55 173.78 1mr5 s SER 343 N -1.77 -0.31 -0.17 2.29 1.04 -1.26 -1.40 113.70 112.12 1mr5 s SER 343 Ca 0.47 -0.39 -0.06 0.00 0.48 0.00 0.00 55.95 56.45 1mr5 s SER 343 Cb -0.16 0.58 0.08 0.00 0.10 0.00 0.00 66.02 66.62 1mr5 s SER 343 CO 0.20 -1.03 0.37 -0.55 0.98 0.00 0.00 173.24 173.21 1mr5 s SER 344 N -2.85 -0.11 -0.17 7.02 0.15 0.26 -4.02 113.70 113.98 1mr5 s SER 344 Ca 0.07 0.85 -0.06 0.00 0.70 0.00 0.00 55.95 57.51 1mr5 s SER 344 Cb -0.01 1.06 -0.03 0.00 -1.71 0.00 0.00 66.02 65.33 1mr5 s SER 344 CO -0.05 -0.23 0.02 -0.69 1.20 0.00 0.00 173.24 173.49 1mr5 s VAL 345 N 2.37 4.38 -0.07 4.45 1.01 -1.26 -0.42 120.40 130.86 1mr5 s VAL 345 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1mr5 s VAL 345 Cb -0.12 -2.95 -0.00 0.00 0.00 0.00 0.00 36.38 33.32 1mr5 s VAL 345 CO -0.11 0.48 -0.20 -0.22 0.00 0.00 0.00 175.10 175.04 1mr5 s LEU 346 N 0.35 1.95 -0.29 3.92 2.96 -0.12 -4.95 118.68 122.50 1mr5 s LEU 346 Ca -0.00 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 1mr5 s LEU 346 Cb -0.13 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.41 1mr5 s LEU 346 CO 0.01 0.15 0.05 -0.47 -1.32 0.00 0.00 176.35 174.78 1mr5 s TYR 347 N 0.19 3.15 -0.03 5.38 5.04 -1.26 -0.75 117.35 129.07 1mr5 s TYR 347 Ca -0.10 -1.19 0.01 0.00 -2.44 0.00 0.00 57.07 53.35 1mr5 s TYR 347 Cb -0.15 -2.21 0.02 0.00 0.35 0.00 0.00 41.96 39.97 1mr5 s TYR 347 CO 0.05 -0.64 -0.03 0.21 -1.34 0.00 0.00 175.55 173.80 1mr5 s LYS 348 N 1.44 0.63 -1.41 4.97 2.20 -0.47 -4.88 119.74 122.21 1mr5 s LYS 348 Ca 0.01 -0.07 -0.14 0.00 -0.36 0.00 0.00 55.97 55.41 1mr5 s LYS 348 Cb -0.17 -0.67 0.02 0.00 -1.51 0.00 0.00 37.83 35.49 1mr5 s LYS 348 CO 0.01 -0.06 0.29 -0.25 -0.36 0.00 0.00 175.35 174.97 1mr5 n ASP 349 N 3.88 -1.10 -2.33 1.43 8.00 -1.26 -0.47 116.55 124.70 1mr5 n ASP 349 Ca -0.24 -1.28 -0.13 0.00 0.71 0.00 0.00 54.79 53.85 1mr5 n ASP 349 Cb 0.52 -1.68 -0.01 0.00 -0.02 0.00 0.00 41.12 39.92 1mr5 n ASP 349 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1mr5 n ASP 350 N -2.60 -3.96 -4.33 -2.24 4.64 -1.26 -4.99 116.55 101.81 1mr5 n ASP 350 Ca -0.24 0.20 -0.28 0.00 -1.38 0.00 0.00 54.79 53.09 1mr5 n ASP 350 Cb 0.64 -3.39 -0.14 0.00 -1.04 0.00 0.00 41.12 37.20 1mr5 n ASP 350 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1mr5 s LYS 351 N -4.83 1.45 -0.14 -0.67 -0.14 0.38 -5.15 119.74 110.65 1mr5 s LYS 351 Ca 0.00 -1.17 -0.01 0.00 -1.36 0.00 0.00 55.97 53.43 1mr5 s LYS 351 Cb 0.00 -1.75 -0.01 0.00 -1.68 0.00 0.00 37.83 34.39 1mr5 s LYS 351 CO 0.00 0.43 -0.12 -1.17 -0.76 0.00 0.00 175.35 173.73 1mr5 s LEU 352 N -1.64 2.77 0.17 3.17 2.96 -1.26 -1.37 118.68 123.47 1mr5 s LEU 352 Ca 0.11 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1mr5 s LEU 352 Cb -0.10 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1mr5 s LEU 352 CO 0.04 0.15 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.73 1mr5 s TYR 353 N 0.44 1.77 -0.04 5.38 1.51 0.07 -0.06 117.35 126.42 1mr5 s TYR 353 Ca -0.09 -0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 55.47 1mr5 s TYR 353 Cb -0.16 -0.88 0.03 0.00 -0.11 0.00 0.00 41.96 40.85 1mr5 s TYR 353 CO 0.05 0.32 0.09 0.00 -1.11 0.00 0.00 175.55 174.90 1mr5 s LEU 355 N 1.18 4.61 0.05 0.00 0.20 0.44 -1.25 118.68 123.91 1mr5 s LEU 355 Ca -0.08 -0.79 0.01 0.00 0.69 0.00 0.00 54.13 53.95 1mr5 s LEU 355 Cb -0.12 -2.06 -0.03 0.00 -0.43 0.00 0.00 46.19 43.55 1mr5 s LEU 355 CO -0.05 -0.33 -0.06 -1.38 -0.29 0.00 0.00 176.35 174.24 1mr5 s HIS 356 N 1.61 0.62 0.51 5.38 -3.43 -0.76 -0.58 115.29 118.64 1mr5 s HIS 356 Ca 0.04 -0.69 -0.23 0.00 -0.80 0.00 0.00 55.06 53.37 1mr5 s HIS 356 Cb -0.18 -0.39 -0.06 0.00 -1.43 0.00 0.00 32.58 30.52 1mr5 s HIS 356 CO 0.08 -0.17 1.35 -1.21 -2.00 0.00 0.00 174.74 172.79 1mr5 s GLU 357 N -2.46 3.38 -0.01 -0.38 2.02 -0.49 -0.16 118.70 120.60 1mr5 s GLU 357 Ca -0.03 2.23 0.03 0.00 0.02 0.00 0.00 54.97 57.22 1mr5 s GLU 357 Cb -0.04 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.79 1mr5 s GLU 357 CO -0.03 -1.00 -0.11 0.96 0.02 0.00 0.00 175.26 175.11 1mr5 s ILE 358 N -1.30 0.84 -0.12 -1.63 -4.36 -0.27 -4.21 121.20 110.15 1mr5 s ILE 358 Ca 0.67 -0.47 -0.02 0.00 -0.26 0.00 0.00 60.65 60.57 1mr5 s ILE 358 Cb -0.40 -0.71 0.04 0.00 1.25 0.00 0.00 42.46 42.64 1mr5 s ILE 358 CO 0.49 0.22 0.01 0.21 0.24 0.00 0.00 174.94 176.11 1mr5 s ASN 359 N -0.29 2.11 -0.10 4.36 3.04 -0.22 -1.77 114.94 122.08 1mr5 s ASN 359 Ca 0.04 -0.36 0.02 0.00 0.04 0.00 0.00 52.86 52.59 1mr5 s ASN 359 Cb -0.04 -0.53 -0.02 0.00 -1.54 0.00 0.00 41.25 39.12 1mr5 s ASN 359 CO -0.00 -0.23 -0.15 -0.44 -3.04 0.00 0.00 177.10 173.24 1mr5 s SER 360 N 1.91 3.86 -1.45 -4.21 0.01 -0.88 -3.92 113.70 109.02 1mr5 s SER 360 Ca 0.03 -0.33 -0.13 0.00 1.31 0.00 0.00 55.95 56.83 1mr5 s SER 360 Cb -0.14 -1.33 0.10 0.00 0.21 0.00 0.00 66.02 64.87 1mr5 s SER 360 CO -0.06 0.22 0.65 0.59 0.41 0.00 0.00 173.24 175.05 1mr5 n ASN 361 N 3.16 -3.71 -2.84 2.44 3.02 -1.26 -0.08 115.26 115.99 1mr5 n ASN 361 Ca -0.18 -0.64 -0.20 0.00 -0.03 0.00 0.00 54.58 53.52 1mr5 n ASN 361 Cb 0.53 -3.04 0.04 0.00 -0.61 0.00 0.00 39.78 36.70 1mr5 n ASN 361 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mr5 n GLU 362 N -4.06 -5.05 -4.00 3.52 -0.58 -1.26 -4.99 120.64 104.21 1mr5 n GLU 362 Ca 0.03 0.80 -0.30 0.00 -0.42 0.00 0.00 57.16 57.27 1mr5 n GLU 362 Cb 0.52 -5.48 -0.16 0.00 -0.57 0.00 0.00 31.44 25.74 1mr5 n GLU 362 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1mr5 s VAL 363 N -3.16 1.53 -0.13 2.62 1.01 0.88 -4.46 120.40 118.69 1mr5 s VAL 363 Ca 0.33 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1mr5 s VAL 363 Cb -0.15 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1mr5 s VAL 363 CO 0.41 0.40 0.01 -0.31 0.00 0.00 0.00 175.10 175.60 1mr5 s TYR 364 N 1.50 3.15 0.30 5.22 1.51 -1.26 -2.06 117.35 125.70 1mr5 s TYR 364 Ca 0.04 0.01 0.10 0.00 -1.01 0.00 0.00 57.07 56.21 1mr5 s TYR 364 Cb -0.13 -1.92 -0.06 0.00 -0.11 0.00 0.00 41.96 39.74 1mr5 s TYR 364 CO -0.10 0.24 -0.14 -1.12 -1.11 0.00 0.00 175.55 173.31 1mr5 s SER 365 N -0.18 3.53 -0.18 2.29 0.01 -0.73 -0.78 113.70 117.66 1mr5 s SER 365 Ca 0.05 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1mr5 s SER 365 Cb -0.12 -0.30 0.01 0.00 0.21 0.00 0.00 66.02 65.81 1mr5 s SER 365 CO 0.02 -0.10 -0.17 -0.76 0.41 0.00 0.00 173.24 172.64 1mr5 s LEU 366 N -3.54 2.32 0.18 2.44 1.43 0.20 -1.11 118.68 120.60 1mr5 s LEU 366 Ca 0.31 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1mr5 s LEU 366 Cb -0.01 -1.53 -0.06 0.00 0.03 0.00 0.00 46.19 44.62 1mr5 s LEU 366 CO 0.15 0.02 0.42 0.68 0.23 0.00 0.00 176.35 177.85 1mr5 s VAL 367 N 1.18 5.13 -0.34 -1.59 -7.23 0.77 -0.91 120.40 117.41 1mr5 s VAL 367 Ca 0.02 0.02 -0.01 0.00 -1.81 0.00 0.00 61.98 60.20 1mr5 s VAL 367 Cb -0.14 -3.65 0.08 0.00 0.56 0.00 0.00 36.38 33.23 1mr5 s VAL 367 CO -0.08 -0.04 0.06 0.12 -0.31 0.00 0.00 175.10 174.85 1mr5 s PHE 368 N -1.75 3.44 -0.07 2.82 5.36 -0.51 -1.83 117.98 125.43 1mr5 s PHE 368 Ca 0.42 -2.24 -0.03 0.00 -0.96 0.00 0.00 56.93 54.12 1mr5 s PHE 368 Cb -0.12 -2.56 -0.04 0.00 -0.34 0.00 0.00 43.02 39.97 1mr5 s PHE 368 CO 0.25 -0.88 0.07 0.00 -1.46 0.00 0.00 175.22 173.21 1mr5 s ALA 369 N 1.16 3.58 -0.45 11.12 0.00 -0.38 -2.57 121.76 134.21 1mr5 s ALA 369 Ca 0.01 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 1mr5 s ALA 369 Cb -0.21 -1.68 0.05 0.00 0.00 0.00 0.00 23.12 21.29 1mr5 s ALA 369 CO -0.03 0.63 0.42 1.03 0.00 0.00 0.00 175.76 177.81 1mr5 s ARG 370 N -1.22 3.02 -1.33 0.00 0.52 0.88 -1.46 118.95 119.36 1mr5 s ARG 370 Ca 0.17 -1.09 -0.12 0.00 -0.52 0.00 0.00 55.73 54.17 1mr5 s ARG 370 Cb -0.12 -4.06 0.12 0.00 0.52 0.00 0.00 34.95 31.41 1mr5 s ARG 370 CO 0.07 -0.97 1.93 1.28 0.02 0.00 0.00 175.30 177.64 1mr5 n LEU 371 N 5.43 6.45 0.06 2.53 4.32 0.91 -2.60 117.00 134.10 1mr5 n LEU 371 Ca -0.10 -4.41 -0.11 0.00 -0.02 0.00 0.00 56.01 51.36 1mr5 n LEU 371 Cb 0.45 -1.57 -0.08 0.00 -1.62 0.00 0.00 43.42 40.60 1mr5 n LEU 371 CO 0.47 1.13 0.45 0.58 -1.22 0.00 0.00 177.39 178.80 1mr5 h VAL 372 N 4.05 0.92 -0.87 4.08 2.07 -1.85 -2.76 116.25 121.89 1mr5 h VAL 372 Ca 0.45 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.93 1mr5 h VAL 372 Cb 0.68 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 1mr5 h VAL 372 CO 1.66 0.22 0.57 1.23 0.02 0.00 0.00 177.57 181.27 1mr5 h GLY 373 N -0.80 1.24 1.19 2.17 0.00 -1.86 -2.38 103.07 102.63 1mr5 h GLY 373 Ca -0.02 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 1mr5 h GLY 373 CO 0.04 0.35 -0.40 0.83 0.00 0.00 0.00 176.54 177.36 1mr5 h GLU 374 N 1.06 0.89 -0.12 4.80 3.07 -1.93 -2.55 114.58 119.79 1mr5 h GLU 374 Ca 0.35 -0.47 -0.13 0.00 -0.50 0.00 0.00 59.36 58.61 1mr5 h GLU 374 Cb 0.06 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1mr5 h GLU 374 CO -0.11 1.12 -0.49 1.25 -1.40 0.00 0.00 179.01 179.38 1mr5 h LEU 375 N 0.72 0.34 -0.09 1.33 5.85 -1.30 -1.00 115.31 121.17 1mr5 h LEU 375 Ca 0.06 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1mr5 h LEU 375 Cb 0.98 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1mr5 h LEU 375 CO 0.09 0.78 0.06 -0.09 -0.34 0.00 0.00 178.44 178.94 1mr5 h ARG 376 N 0.25 0.12 -0.84 1.25 2.43 -1.24 -1.35 114.38 115.00 1mr5 h ARG 376 Ca 0.01 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1mr5 h ARG 376 Cb 0.95 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1mr5 h ARG 376 CO 0.08 0.10 0.56 0.82 -1.51 0.00 0.00 179.97 180.02 1mr5 h ILE 377 N 0.10 1.21 -0.03 1.20 2.04 -1.30 -2.48 117.51 118.25 1mr5 h ILE 377 Ca 0.03 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1mr5 h ILE 377 Cb 0.01 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.04 1mr5 h ILE 377 CO -0.01 0.21 -0.11 0.40 0.00 0.00 0.00 178.15 178.64 1mr5 h ILE 378 N 1.13 0.70 -0.57 -0.67 2.04 -0.82 -1.43 117.51 117.91 1mr5 h ILE 378 Ca 0.31 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.15 1mr5 h ILE 378 Cb -0.12 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1mr5 h ILE 378 CO -0.07 0.00 0.27 0.11 0.00 0.00 0.00 178.15 178.46 1mr5 h LYS 379 N -0.18 0.82 -0.42 2.37 1.57 -1.12 0.74 116.57 120.35 1mr5 h LYS 379 Ca 0.05 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1mr5 h LYS 379 Cb 0.25 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1mr5 h LYS 379 CO -0.14 0.67 0.23 1.03 -0.57 0.00 0.00 179.45 180.68 1mr5 h SER 380 N 0.77 0.37 -0.53 0.86 0.87 -1.30 -0.26 113.55 114.33 1mr5 h SER 380 Ca 0.19 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.67 1mr5 h SER 380 Cb 0.13 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1mr5 h SER 380 CO -0.02 0.26 -0.02 0.58 -0.53 0.00 0.00 176.83 177.10 1mr5 h VAL 381 N 0.47 1.26 -0.00 2.23 2.07 -0.68 -0.97 116.25 120.64 1mr5 h VAL 381 Ca 0.17 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 1mr5 h VAL 381 Cb 0.04 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1mr5 h VAL 381 CO -0.09 0.41 -0.39 -0.07 0.02 0.00 0.00 177.57 177.44 1mr5 h LEU 382 N 0.90 0.00 0.09 2.57 3.38 -0.29 -0.87 115.31 121.10 1mr5 h LEU 382 Ca 0.16 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.84 1mr5 h LEU 382 Cb 0.55 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.32 1mr5 h LEU 382 CO 0.03 0.40 -1.24 -0.61 0.09 0.00 0.00 178.44 177.11 1mr5 h GLN 383 N 0.00 0.48 -0.88 1.13 5.75 -0.66 -1.86 115.11 119.07 1mr5 h GLN 383 Ca -0.00 -0.68 0.09 0.00 -0.15 0.00 0.00 58.65 57.91 1mr5 h GLN 383 Cb 0.70 0.23 -0.07 0.00 1.07 0.00 0.00 27.48 29.41 1mr5 h GLN 383 CO 0.05 1.30 0.53 0.77 -2.65 0.00 0.00 178.83 178.83 1mr5 h SER 384 N 0.19 0.78 -0.09 -0.69 0.02 -0.57 -1.31 113.55 111.88 1mr5 h SER 384 Ca -0.17 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1mr5 h SER 384 Cb 1.92 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 64.34 1mr5 h SER 384 CO 0.22 0.46 -0.01 -0.50 -1.14 0.00 0.00 176.83 175.86 1mr5 h TRP 385 N 0.90 0.18 -0.57 3.45 4.06 -1.01 -2.16 115.95 120.80 1mr5 h TRP 385 Ca 0.42 -0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.36 1mr5 h TRP 385 Cb 0.34 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.42 1mr5 h TRP 385 CO -0.04 0.45 0.34 -0.22 -3.56 0.00 0.00 178.44 175.41 1mr5 h LYS 386 N -0.15 0.65 -0.11 0.49 3.64 -1.20 -1.61 116.57 118.28 1mr5 h LYS 386 Ca 0.02 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 1mr5 h LYS 386 Cb 0.39 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1mr5 h LYS 386 CO 0.01 0.43 -0.72 -0.91 -2.27 0.00 0.00 179.45 175.99 1mr5 h ASN 387 N 0.67 0.63 0.17 4.20 2.35 -1.23 0.14 115.58 122.51 1mr5 h ASN 387 Ca 0.23 -0.40 -0.18 0.00 -0.55 0.00 0.00 56.30 55.40 1mr5 h ASN 387 Cb 0.04 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1mr5 h ASN 387 CO -0.11 1.15 -0.69 -0.50 -1.65 0.00 0.00 177.43 175.64 1mr5 h TRP 388 N 0.37 0.62 -0.42 1.19 -0.00 -1.39 -1.65 115.95 114.68 1mr5 h TRP 388 Ca -0.03 -0.26 -0.05 0.00 -0.00 0.00 0.00 58.89 58.54 1mr5 h TRP 388 Cb 1.30 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 30.34 1mr5 h TRP 388 CO 0.06 1.02 0.03 -0.44 -0.00 0.00 0.00 178.44 179.11 1mr5 h ASP 389 N 0.33 0.61 -0.47 -3.49 3.32 -1.07 -2.46 116.42 113.19 1mr5 h ASP 389 Ca -0.02 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.78 1mr5 h ASP 389 Cb 1.26 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1mr5 h ASP 389 CO 0.12 0.66 -0.21 -1.28 -1.72 0.00 0.00 179.24 176.81 1mr5 h SER 390 N 0.62 1.00 0.58 6.45 0.87 -0.56 0.04 113.55 122.56 1mr5 h SER 390 Ca 0.13 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1mr5 h SER 390 Cb 0.34 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1mr5 h SER 390 CO 0.01 1.18 -0.41 -0.74 -0.53 0.00 0.00 176.83 176.34 1mr5 h HIS 391 N 0.83 -1.11 -0.83 2.24 -0.00 -1.07 0.30 115.15 115.51 1mr5 h HIS 391 Ca 0.11 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.56 1mr5 h HIS 391 Cb 0.79 0.41 -0.07 0.00 -0.00 0.00 0.00 27.41 28.54 1mr5 h HIS 391 CO 0.05 -0.59 0.48 -0.07 -0.00 0.00 0.00 177.93 177.81 1mr5 h LEU 392 N -0.94 0.70 -1.45 0.26 3.38 -1.47 -2.38 115.31 113.41 1mr5 h LEU 392 Ca -0.08 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1mr5 h LEU 392 Cb 0.77 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1mr5 h LEU 392 CO 0.04 0.41 -0.27 0.28 0.09 0.00 0.00 178.44 178.99 1mr5 h SER 393 N 0.82 0.01 0.40 -0.43 0.02 -0.29 -2.82 113.55 111.25 1mr5 h SER 393 Ca 0.39 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1mr5 h SER 393 Cb 0.34 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1mr5 h SER 393 CO -0.24 0.28 -0.08 -1.20 -1.14 0.00 0.00 176.83 174.45 1mr5 n SER 394 N -4.21 0.35 -4.73 3.07 7.64 0.99 -4.77 113.62 111.97 1mr5 n SER 394 Ca -0.02 -0.49 -0.42 0.00 1.01 0.00 0.00 58.87 58.95 1mr5 n SER 394 Cb 0.32 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 1mr5 n SER 394 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1mr5 s ILE 395 N -2.48 3.08 -0.91 0.44 1.01 -1.06 -4.93 121.20 116.34 1mr5 s ILE 395 Ca 0.29 0.83 -0.20 0.00 0.00 0.00 0.00 60.65 61.57 1mr5 s ILE 395 Cb 0.20 -3.53 0.11 0.00 0.01 0.00 0.00 42.46 39.26 1mr5 s ILE 395 CO 0.47 0.09 1.15 0.00 0.00 0.00 0.00 174.94 176.65 1mr5 n THR 397 N 5.71 2.96 0.00 0.00 -1.04 -1.26 -4.79 114.28 115.85 1mr5 n THR 397 Ca 0.22 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1mr5 n THR 397 Cb 0.49 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 1mr5 n THR 397 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1mr5 n PRO 398 N -0.30 0.00 -3.19 -2.82 -0.02 -1.26 -0.29 135.00 127.11 1mr5 n PRO 398 Ca 0.09 0.66 -0.45 0.00 -2.02 0.00 0.00 63.50 61.78 1mr5 n PRO 398 Cb 0.42 -1.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.84 1mr5 n PRO 398 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mr5 s ALA 399 N -3.40 4.05 0.37 3.55 0.00 -1.26 -4.56 121.76 120.50 1mr5 s ALA 399 Ca 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 51.96 48.65 1mr5 s ALA 399 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1mr5 s ALA 399 CO 0.00 -2.49 0.00 0.41 0.00 0.00 0.00 175.76 173.68 1mr5 n GLY 409 N 4.07 -3.35 3.12 0.00 0.00 -1.26 -4.37 105.19 103.41 1mr5 n GLY 409 Ca 0.21 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 1mr5 n GLY 409 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr5 n GLY 411 N 3.03 1.08 3.75 0.00 0.00 0.60 -4.94 105.19 108.71 1mr5 n GLY 411 Ca -0.17 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 1mr5 n GLY 411 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mr5 s PRO 412 N -2.46 4.23 0.72 1.61 0.02 -1.26 -4.58 135.00 133.28 1mr5 s PRO 412 Ca 0.05 2.38 -0.16 0.00 0.02 0.00 0.00 61.00 63.29 1mr5 s PRO 412 Cb -0.00 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.47 1mr5 s PRO 412 CO 0.03 -0.47 1.24 0.00 -0.33 0.00 0.00 177.00 177.47 1mr5 s ALA 413 N -0.08 2.12 0.16 -1.55 0.00 -1.26 -4.66 121.76 116.50 1mr5 s ALA 413 Ca 0.60 1.00 -0.31 0.00 0.00 0.00 0.00 51.96 53.26 1mr5 s ALA 413 Cb -0.43 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.09 1mr5 s ALA 413 CO 0.45 -1.91 1.36 0.08 0.00 0.00 0.00 175.76 175.75 1mr5 s VAL 414 N -1.80 3.19 0.10 0.00 1.01 -1.26 -4.97 120.40 116.67 1mr5 s VAL 414 Ca 0.77 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 1mr5 s VAL 414 Cb -0.32 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 1mr5 s VAL 414 CO 0.45 0.11 1.17 0.28 0.00 0.00 0.00 175.10 177.10 1mr5 s THR 415 N 0.59 3.97 -1.46 3.92 -1.32 -1.26 -4.59 115.64 115.49 1mr5 s THR 415 Ca 0.61 1.49 0.15 0.00 -1.21 0.00 0.00 61.69 62.74 1mr5 s THR 415 Cb -0.37 -3.96 0.01 0.00 -1.51 0.00 0.00 72.50 66.67 1mr5 s THR 415 CO 0.35 0.16 0.85 0.35 -2.21 0.00 0.00 174.62 174.11 1mr5 n THR 416 N 3.42 0.00 -1.93 5.08 -2.24 -1.26 -4.90 114.28 112.45 1mr5 n THR 416 Ca 0.07 -0.36 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 1mr5 n THR 416 Cb 0.46 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 1mr5 n THR 416 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mr5 s VAL 417 N -1.78 3.42 0.00 2.28 1.01 -1.26 -2.31 120.40 121.75 1mr5 s VAL 417 Ca 0.13 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1mr5 s VAL 417 Cb 0.12 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1mr5 s VAL 417 CO 0.37 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1mr5 n GLY 418 N 5.14 0.59 3.68 4.51 0.00 -1.26 -4.92 105.19 112.93 1mr5 n GLY 418 Ca 0.22 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1mr5 n GLY 418 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mr5 s LEU 419 N 0.00 4.19 -0.07 0.99 0.20 -0.98 -0.77 118.68 122.24 1mr5 s LEU 419 Ca 0.00 0.70 0.03 0.00 0.69 0.00 0.00 54.13 55.55 1mr5 s LEU 419 Cb 0.00 -2.67 -0.07 0.00 -0.43 0.00 0.00 46.19 43.02 1mr5 s LEU 419 CO 0.00 -0.10 -0.03 0.52 -0.29 0.00 0.00 176.35 176.46 1mr5 n VAL 420 N 4.20 0.47 -3.84 1.68 0.31 0.89 -4.72 118.33 117.31 1mr5 n VAL 420 Ca -0.06 -0.23 -0.12 0.00 -0.01 0.00 0.00 64.34 63.92 1mr5 n VAL 420 Cb 0.51 -0.81 -0.10 0.00 -0.91 0.00 0.00 33.84 32.53 1mr5 n VAL 420 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1mr5 s GLY 421 N -4.31 -0.01 -0.29 2.92 0.00 -1.15 -4.80 107.32 99.68 1mr5 s GLY 421 Ca -0.07 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.66 1mr5 s GLY 421 CO 0.23 -0.12 0.25 -0.12 0.00 0.00 0.00 173.10 173.35 1mr5 s PHE 422 N -1.20 -0.23 -0.41 1.90 5.99 -1.26 -1.04 117.98 121.74 1mr5 s PHE 422 Ca -0.13 -0.39 -0.18 0.00 0.00 0.00 0.00 56.93 56.23 1mr5 s PHE 422 Cb -0.06 -0.59 0.02 0.00 0.00 0.00 0.00 43.02 42.38 1mr5 s PHE 422 CO 0.02 -0.90 0.51 -0.51 -0.00 0.00 0.00 175.22 174.34 1mr5 s LEU 423 N 2.27 4.64 0.00 6.12 1.43 -0.42 -1.53 118.68 131.20 1mr5 s LEU 423 Ca 0.09 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1mr5 s LEU 423 Cb -0.15 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1mr5 s LEU 423 CO -0.34 -0.61 0.00 -0.24 0.23 0.00 0.00 176.35 175.39 1mr5 n SER 424 N 5.81 0.00 -0.11 2.29 2.88 -1.26 0.14 113.62 123.37 1mr5 n SER 424 Ca -0.05 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.43 1mr5 n SER 424 Cb 0.48 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.95 1mr5 n SER 424 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1mr5 h HIS 425 N 0.00 -0.35 -2.63 0.66 -0.00 -1.89 -3.33 115.15 107.61 1mr5 h HIS 425 Ca 0.00 0.04 -0.53 0.00 -0.00 0.00 0.00 60.37 59.88 1mr5 h HIS 425 Cb 0.00 0.21 0.04 0.00 -0.00 0.00 0.00 27.41 27.66 1mr5 h HIS 425 CO 0.00 -0.22 1.04 -1.12 -0.00 0.00 0.00 177.93 177.62 1mr5 s SER 426 N -5.17 6.50 0.30 3.26 0.01 -1.26 -4.59 113.70 112.75 1mr5 s SER 426 Ca -0.14 2.66 -0.18 0.00 1.31 0.00 0.00 55.95 59.60 1mr5 s SER 426 Cb 0.14 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.82 1mr5 s SER 426 CO 0.70 -0.94 0.69 0.00 0.41 0.00 0.00 173.24 174.10 1mr5 s ALA 427 N 2.35 -0.88 0.15 1.44 0.00 -1.26 -2.09 121.76 121.47 1mr5 s ALA 427 Ca 0.77 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 1mr5 s ALA 427 Cb -0.44 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 1mr5 s ALA 427 CO 0.34 -0.99 0.24 0.99 0.00 0.00 0.00 175.76 176.34 1mr5 s THR 428 N -3.55 0.08 0.25 0.00 2.01 0.54 -4.91 115.64 110.06 1mr5 s THR 428 Ca 0.15 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 60.66 1mr5 s THR 428 Cb -0.05 -1.80 0.28 0.00 0.01 0.00 0.00 72.50 70.94 1mr5 s THR 428 CO 0.09 -0.36 1.64 0.50 -0.69 0.00 0.00 174.62 175.79 1mr5 h LYS 429 N 2.61 0.12 0.00 4.92 1.63 -1.98 -3.21 116.57 120.66 1mr5 h LYS 429 Ca -0.32 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1mr5 h LYS 429 Cb 1.22 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1mr5 h LYS 429 CO 0.51 0.08 0.00 0.25 -3.45 0.00 0.00 179.45 176.84 1mr5 n THR 430 N -5.32 0.16 -4.12 1.00 -2.24 -1.26 -4.85 114.28 97.65 1mr5 n THR 430 Ca 0.14 -0.51 -0.14 0.00 -2.27 0.00 0.00 64.05 61.28 1mr5 n THR 430 Cb 0.50 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.65 1mr5 n THR 430 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mr5 s GLU 431 N -0.16 0.69 -0.21 -0.78 2.02 -1.21 -0.76 118.70 118.29 1mr5 s GLU 431 Ca 0.00 -0.97 -0.04 0.00 0.02 0.00 0.00 54.97 53.98 1mr5 s GLU 431 Cb 0.00 -0.42 -0.01 0.00 0.10 0.00 0.00 34.13 33.80 1mr5 s GLU 431 CO 0.00 0.07 -0.03 -0.46 0.02 0.00 0.00 175.26 174.86 1mr5 s TRP 432 N -1.96 2.98 -0.43 1.61 -0.11 0.22 -0.34 118.94 120.92 1mr5 s TRP 432 Ca -0.02 -0.75 -0.23 0.00 1.22 0.00 0.00 56.10 56.32 1mr5 s TRP 432 Cb -0.06 -2.10 0.02 0.00 -1.50 0.00 0.00 33.47 29.84 1mr5 s TRP 432 CO -0.00 -0.43 0.80 -1.21 -4.62 0.00 0.00 176.95 171.49 1mr5 s GLU 433 N 1.30 3.50 -0.07 5.86 2.02 -0.89 -2.16 118.70 128.25 1mr5 s GLU 433 Ca 0.04 0.02 -0.38 0.00 0.02 0.00 0.00 54.97 54.67 1mr5 s GLU 433 Cb -0.14 -3.91 -0.16 0.00 0.10 0.00 0.00 34.13 30.02 1mr5 s GLU 433 CO -0.01 -1.08 1.58 -3.47 0.02 0.00 0.00 175.26 172.30 1mr5 n ASP 434 N 6.72 2.23 -0.02 -0.19 2.03 -1.26 -4.47 116.55 121.59 1mr5 n ASP 434 Ca 0.03 1.08 -0.08 0.00 0.52 0.00 0.00 54.79 56.34 1mr5 n ASP 434 Cb 0.48 -1.20 0.08 0.00 -0.72 0.00 0.00 41.12 39.76 1mr5 n ASP 434 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mr5 h ALA 435 N 6.18 0.80 -0.22 -1.67 0.00 -1.67 -2.13 119.26 120.56 1mr5 h ALA 435 Ca -0.47 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1mr5 h ALA 435 Cb 1.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1mr5 h ALA 435 CO 0.88 0.66 0.00 0.66 0.00 0.00 0.00 179.25 181.44 1mr5 n TYR 436 N -4.02 0.29 -1.44 0.00 4.02 -1.26 -4.84 117.16 109.91 1mr5 n TYR 436 Ca -0.02 -0.14 -0.15 0.00 -0.01 0.00 0.00 57.90 57.57 1mr5 n TYR 436 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.79 1mr5 n TYR 436 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1mr5 n ARG 437 N 0.16 -1.43 -0.13 -0.72 1.74 -0.80 -4.83 116.66 110.64 1mr5 n ARG 437 Ca 0.09 1.02 -0.24 0.00 -0.77 0.00 0.00 57.85 57.95 1mr5 n ARG 437 Cb 0.21 -5.34 -0.11 0.00 -1.02 0.00 0.00 32.46 26.19 1mr5 n ARG 437 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mr5 s VAL 439 N -2.51 -0.29 0.68 0.00 1.01 -1.26 -4.91 120.40 113.12 1mr5 s VAL 439 Ca -0.36 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1mr5 s VAL 439 Cb 0.12 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.90 1mr5 s VAL 439 CO 0.55 -0.18 1.01 0.20 0.00 0.00 0.00 175.10 176.68 1mr5 s ASN 440 N 2.30 5.12 0.02 3.32 0.01 -1.26 -4.50 114.94 119.96 1mr5 s ASN 440 Ca 0.06 0.67 0.07 0.00 -0.71 0.00 0.00 52.86 52.95 1mr5 s ASN 440 Cb -0.15 -1.44 -0.03 0.00 0.41 0.00 0.00 41.25 40.04 1mr5 s ASN 440 CO -0.11 -1.42 -0.20 0.00 -1.51 0.00 0.00 177.10 173.86 1mr5 s ALA 441 N -3.22 2.51 0.31 0.60 0.00 -0.92 -4.59 121.76 116.46 1mr5 s ALA 441 Ca 0.58 -1.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.22 1mr5 s ALA 441 Cb -0.11 -0.72 -0.09 0.00 0.00 0.00 0.00 23.12 22.21 1mr5 s ALA 441 CO 0.46 0.56 0.73 -1.54 0.00 0.00 0.00 175.76 175.97 1mr5 s SER 442 N -1.21 6.79 0.08 0.00 1.04 -0.82 0.73 113.70 120.31 1mr5 s SER 442 Ca 0.13 1.28 0.02 0.00 0.48 0.00 0.00 55.95 57.86 1mr5 s SER 442 Cb -0.10 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 1mr5 s SER 442 CO 0.03 -0.18 -0.06 0.42 0.98 0.00 0.00 173.24 174.43 1mr5 s THR 443 N -1.94 0.61 0.01 2.02 -4.23 0.06 -0.76 115.64 111.43 1mr5 s THR 443 Ca 0.53 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1mr5 s THR 443 Cb -0.11 -1.44 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 1mr5 s THR 443 CO 0.18 -0.78 -0.03 0.00 -0.54 0.00 0.00 174.62 173.44 1mr5 s ALA 444 N -3.18 0.18 -1.44 3.99 0.00 -0.83 -4.65 121.76 115.83 1mr5 s ALA 444 Ca 0.07 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.54 1mr5 s ALA 444 Cb 0.02 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.25 1mr5 s ALA 444 CO -0.04 -0.06 0.88 0.09 0.00 0.00 0.00 175.76 176.63 1mr5 n ASN 445 N 2.17 -3.50 -4.35 0.00 3.02 -1.26 -2.86 115.26 108.49 1mr5 n ASN 445 Ca -0.19 -0.79 -0.31 0.00 -0.03 0.00 0.00 54.58 53.26 1mr5 n ASN 445 Cb 0.57 -3.99 -0.15 0.00 -0.61 0.00 0.00 39.78 35.59 1mr5 n ASN 445 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mr5 s ALA 446 N -3.45 2.28 -0.08 5.41 0.00 -1.26 -2.73 121.76 121.94 1mr5 s ALA 446 Ca 0.41 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.34 1mr5 s ALA 446 Cb -0.20 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1mr5 s ALA 446 CO 0.82 0.52 -0.24 -2.00 0.00 0.00 0.00 175.76 174.86 1mr5 s GLU 447 N -0.59 2.74 0.27 0.00 2.12 0.09 -4.94 118.70 118.40 1mr5 s GLU 447 Ca 0.09 -0.88 -0.29 0.00 0.36 0.00 0.00 54.97 54.24 1mr5 s GLU 447 Cb -0.11 -2.20 -0.10 0.00 0.26 0.00 0.00 34.13 31.99 1mr5 s GLU 447 CO -0.00 0.28 1.29 1.03 -0.54 0.00 0.00 175.26 177.33 1mr5 s ARG 448 N 0.08 4.39 0.05 4.30 0.52 -1.26 -0.09 118.95 126.94 1mr5 s ARG 448 Ca -0.11 2.11 -0.00 0.00 -0.52 0.00 0.00 55.73 57.21 1mr5 s ARG 448 Cb -0.16 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 1mr5 s ARG 448 CO 0.06 -0.18 -0.03 0.14 0.02 0.00 0.00 175.30 175.30 1mr5 s VAL 449 N -0.57 0.24 -0.40 3.52 -7.23 -0.54 -4.83 120.40 110.59 1mr5 s VAL 449 Ca 0.52 -1.57 -0.44 0.00 -1.81 0.00 0.00 61.98 58.68 1mr5 s VAL 449 Cb -0.38 -1.19 -0.18 0.00 0.56 0.00 0.00 36.38 35.19 1mr5 s VAL 449 CO 0.45 -0.85 1.69 -2.65 -0.31 0.00 0.00 175.10 173.43 1mr5 n PRO 450 N 0.51 0.54 -1.41 4.82 -0.02 -1.26 -0.14 135.00 138.03 1mr5 n PRO 450 Ca -0.17 0.19 -0.14 0.00 -2.02 0.00 0.00 63.50 61.37 1mr5 n PRO 450 Cb 0.59 -1.79 -0.06 0.00 -0.02 0.00 0.00 33.50 32.23 1mr5 n PRO 450 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1mr5 n ASN 451 N 4.80 -5.05 -0.25 2.55 3.02 -1.26 -4.87 115.26 114.20 1mr5 n ASN 451 Ca 0.30 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 55.20 1mr5 n ASN 451 Cb 0.03 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 1mr5 n ASN 451 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mr5 n GLY 452 N -0.79 1.03 3.16 7.41 0.00 0.80 -1.89 105.19 114.91 1mr5 n GLY 452 Ca -0.14 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 1mr5 n GLY 452 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mr5 s LEU 453 N 0.00 2.17 -0.22 0.99 1.43 -0.81 -1.46 118.68 120.78 1mr5 s LEU 453 Ca 0.00 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1mr5 s LEU 453 Cb 0.00 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 1mr5 s LEU 453 CO 0.00 0.05 0.09 -0.75 0.23 0.00 0.00 176.35 175.97 1mr5 s LYS 454 N -1.16 3.90 0.07 1.70 2.20 0.87 -1.61 119.74 125.71 1mr5 s LYS 454 Ca 0.03 -0.37 0.08 0.00 -0.36 0.00 0.00 55.97 55.35 1mr5 s LYS 454 Cb -0.08 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1mr5 s LYS 454 CO 0.01 0.08 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.81 1mr5 s PHE 455 N 0.92 2.47 -0.10 4.03 0.40 0.69 -0.73 117.98 125.66 1mr5 s PHE 455 Ca 0.05 -0.31 -0.31 0.00 -0.60 0.00 0.00 56.93 55.76 1mr5 s PHE 455 Cb -0.14 -1.40 0.10 0.00 0.51 0.00 0.00 43.02 42.09 1mr5 s PHE 455 CO 0.03 0.26 0.84 0.00 0.70 0.00 0.00 175.22 177.04 1mr5 s ALA 456 N -0.95 -1.85 0.00 5.36 0.00 -1.11 -1.29 121.76 121.93 1mr5 s ALA 456 Ca 0.14 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1mr5 s ALA 456 Cb -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1mr5 s ALA 456 CO 0.05 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1mr5 n GLY 457 N 0.81 0.46 3.48 0.00 0.00 -1.26 -4.59 105.19 104.10 1mr5 n GLY 457 Ca -0.15 -1.48 -0.55 0.00 0.00 0.00 0.00 46.02 43.84 1mr5 n GLY 457 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mr5 n VAL 458 N 0.96 0.56 -0.49 1.61 0.31 -1.25 -0.79 118.33 119.24 1mr5 n VAL 458 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1mr5 n VAL 458 Cb 0.00 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 1mr5 n VAL 458 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mr5 n GLY 459 N 1.70 0.80 3.92 2.92 0.00 -1.24 -4.86 105.19 108.43 1mr5 n GLY 459 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1mr5 n GLY 459 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mr5 s GLY 460 N -1.54 1.63 0.00 -0.02 0.00 0.03 -3.48 107.32 103.94 1mr5 s GLY 460 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1mr5 s GLY 460 CO 0.00 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.31 1mr5 n GLY 461 N -2.69 0.62 3.16 0.20 0.00 -1.14 -1.09 105.19 104.25 1mr5 n GLY 461 Ca 0.05 -2.23 -0.20 0.00 0.00 0.00 0.00 46.02 43.64 1mr5 n GLY 461 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr5 s ALA 462 N -1.43 1.21 -0.14 4.61 0.00 0.63 -1.97 121.76 124.66 1mr5 s ALA 462 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1mr5 s ALA 462 Cb 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1mr5 s ALA 462 CO 0.00 0.22 -0.17 -1.17 0.00 0.00 0.00 175.76 174.63 1mr5 s LEU 463 N -1.28 2.39 -0.38 0.00 0.20 0.06 -0.95 118.68 118.72 1mr5 s LEU 463 Ca 0.01 -0.49 -0.04 0.00 0.69 0.00 0.00 54.13 54.30 1mr5 s LEU 463 Cb -0.08 -1.53 0.09 0.00 -0.43 0.00 0.00 46.19 44.24 1mr5 s LEU 463 CO 0.02 0.10 0.16 0.86 -0.29 0.00 0.00 176.35 177.20 1mr5 s TRP 464 N 0.69 3.45 0.36 5.38 -0.00 0.22 -1.95 118.94 127.11 1mr5 s TRP 464 Ca -0.08 -2.09 -0.28 0.00 -0.00 0.00 0.00 56.10 53.65 1mr5 s TRP 464 Cb -0.16 -2.86 -0.10 0.00 -0.00 0.00 0.00 33.47 30.35 1mr5 s TRP 464 CO 0.02 -0.90 1.38 -1.25 -0.00 0.00 0.00 176.95 176.19 1mr5 s PRO 465 N 1.23 4.20 0.00 5.86 0.04 -1.26 0.17 135.00 145.24 1mr5 s PRO 465 Ca 0.04 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1mr5 s PRO 465 Cb -0.22 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1mr5 s PRO 465 CO -0.02 -0.37 0.00 0.28 0.04 0.00 0.00 177.00 176.93 1mr5 n VAL 466 N 0.56 0.00 -0.08 -0.36 0.31 -0.59 -4.62 118.33 113.55 1mr5 n VAL 466 Ca 0.01 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.49 1mr5 n VAL 466 Cb 0.41 -0.01 0.55 0.00 -0.91 0.00 0.00 33.84 33.88 1mr5 n VAL 466 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1mr5 h SER 467 N 0.00 0.27 0.00 4.52 4.64 -1.46 -0.33 113.55 121.20 1mr5 h SER 467 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1mr5 h SER 467 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1mr5 h SER 467 CO 0.00 0.15 0.12 1.56 -0.87 0.00 0.00 176.83 177.80 1mr5 h GLN 468 N 0.30 0.00 -0.19 4.77 4.20 -1.80 -1.87 115.11 120.53 1mr5 h GLN 468 Ca 0.30 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.06 1mr5 h GLN 468 Cb 0.76 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1mr5 h GLN 468 CO -0.07 0.00 0.22 1.96 -0.67 0.00 0.00 178.83 180.27 1mr5 h GLN 469 N 0.00 0.00 0.00 1.46 4.20 -1.30 -3.48 115.11 115.99 1mr5 h GLN 469 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1mr5 h GLN 469 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1mr5 h GLN 469 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1mr5 n GLY 470 N -1.39 0.83 0.14 3.46 0.00 -0.70 -4.47 105.19 103.06 1mr5 n GLY 470 Ca 0.02 -1.44 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 1mr5 n GLY 470 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1mr5 h GLN 471 N 0.00 0.13 -4.70 1.61 4.15 -1.87 -3.39 115.11 111.03 1mr5 h GLN 471 Ca 0.00 -0.01 -0.69 0.00 0.77 0.00 0.00 58.65 58.72 1mr5 h GLN 471 Cb 0.00 -0.03 -0.30 0.00 0.21 0.00 0.00 27.48 27.36 1mr5 h GLN 471 CO 0.00 0.09 -0.64 -0.80 -1.93 0.00 0.00 178.83 175.55 1mr5 s ASN 472 N -5.28 5.16 -0.68 -0.69 -0.87 -1.26 -1.29 114.94 110.03 1mr5 s ASN 472 Ca -0.13 -1.22 -0.09 0.00 -1.57 0.00 0.00 52.86 49.85 1mr5 s ASN 472 Cb 0.12 -1.81 0.18 0.00 -0.02 0.00 0.00 41.25 39.72 1mr5 s ASN 472 CO 0.70 -0.31 0.56 -1.10 -2.57 0.00 0.00 177.10 174.38 1mr5 s GLN 473 N 1.34 2.99 0.40 -0.60 -0.21 -0.06 -4.79 119.66 118.73 1mr5 s GLN 473 Ca -0.03 -2.35 0.27 0.00 0.02 0.00 0.00 55.36 53.27 1mr5 s GLN 473 Cb -0.20 -4.07 0.87 0.00 1.00 0.00 0.00 33.01 30.62 1mr5 s GLN 473 CO 0.01 -1.23 1.78 0.00 -2.12 0.00 0.00 175.29 173.73 1mr5 h ARG 474 N 7.62 0.00 -0.64 2.91 3.08 -1.86 -3.10 114.38 122.39 1mr5 h ARG 474 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1mr5 h ARG 474 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1mr5 h ARG 474 CO 0.76 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.32 1mr5 n TYR 475 N -2.78 1.64 0.23 3.04 0.53 -1.26 -4.48 117.16 114.08 1mr5 n TYR 475 Ca 0.03 -0.64 0.18 0.00 -1.02 0.00 0.00 57.90 56.45 1mr5 n TYR 475 Cb 0.39 -0.31 0.84 0.00 -1.03 0.00 0.00 39.34 39.23 1mr5 n TYR 475 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 1mr5 h HIS 476 N 4.13 0.00 -0.10 -0.72 2.76 -1.89 0.20 115.15 119.54 1mr5 h HIS 476 Ca 0.00 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1mr5 h HIS 476 Cb 1.58 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.54 1mr5 h HIS 476 CO 0.85 0.00 0.09 0.27 -1.30 0.00 0.00 177.93 177.85 1mr5 h PHE 477 N 0.00 0.00 -0.10 5.26 -0.00 -1.79 -2.73 116.94 117.59 1mr5 h PHE 477 Ca 0.08 0.00 0.03 0.00 -0.00 0.00 0.00 57.97 58.08 1mr5 h PHE 477 Cb 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.61 1mr5 h PHE 477 CO 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 178.31 178.41 1mr5 h ALA 478 N 1.90 1.77 0.00 12.09 0.00 -1.10 0.69 119.26 134.61 1mr5 h ALA 478 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1mr5 h ALA 478 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1mr5 h ALA 478 CO -0.00 -0.15 0.00 -0.91 0.00 0.00 0.00 179.25 178.19 1mr5 h ASN 479 N 0.00 0.00 0.00 0.00 2.35 -1.70 -3.32 115.58 112.91 1mr5 h ASN 479 Ca 0.05 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.60 1mr5 h ASN 479 Cb 0.24 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1mr5 h ASN 479 CO -0.00 0.00 -1.69 1.41 -1.65 0.00 0.00 177.43 175.50 1mr5 n HIS 480 N -2.57 0.00 -3.57 1.19 8.25 0.15 -4.50 115.22 114.17 1mr5 n HIS 480 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 1mr5 n HIS 480 Cb 0.25 -0.46 -0.06 0.00 1.12 0.00 0.00 29.99 30.84 1mr5 n HIS 480 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mr5 s ALA 481 N -2.24 -1.83 0.07 -1.41 0.00 -0.67 -4.18 121.76 111.51 1mr5 s ALA 481 Ca -0.17 1.62 -0.27 0.00 0.00 0.00 0.00 51.96 53.14 1mr5 s ALA 481 Cb 0.05 -0.62 0.08 0.00 0.00 0.00 0.00 23.12 22.64 1mr5 s ALA 481 CO 0.26 -0.33 0.91 -0.59 0.00 0.00 0.00 175.76 176.00 1mr5 s PHE 482 N -0.60 -0.25 -0.06 0.00 -0.12 -0.38 -4.13 117.98 112.43 1mr5 s PHE 482 Ca -0.05 0.04 -0.02 0.00 -0.05 0.00 0.00 56.93 56.86 1mr5 s PHE 482 Cb -0.02 0.59 0.03 0.00 -0.63 0.00 0.00 43.02 42.98 1mr5 s PHE 482 CO 0.04 -0.69 0.03 0.99 -0.05 0.00 0.00 175.22 175.54 1mr5 s THR 483 N -3.22 0.17 -0.21 -4.49 2.01 -1.00 -0.71 115.64 108.19 1mr5 s THR 483 Ca 0.08 0.25 -0.03 0.00 0.31 0.00 0.00 61.69 62.30 1mr5 s THR 483 Cb -0.01 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 1mr5 s THR 483 CO -0.04 0.22 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.83 1mr5 s LEU 484 N 2.03 2.79 0.17 4.42 2.96 -0.24 -1.23 118.68 129.58 1mr5 s LEU 484 Ca 0.05 -0.42 0.10 0.00 -0.22 0.00 0.00 54.13 53.64 1mr5 s LEU 484 Cb -0.12 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1mr5 s LEU 484 CO -0.04 -0.00 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.10 1mr5 s VAL 485 N 1.37 2.67 -0.15 1.68 1.01 0.12 -1.53 120.40 125.56 1mr5 s VAL 485 Ca 0.05 -1.81 -0.30 0.00 0.00 0.00 0.00 61.98 59.92 1mr5 s VAL 485 Cb -0.14 -2.28 0.12 0.00 0.00 0.00 0.00 36.38 34.08 1mr5 s VAL 485 CO -0.04 -0.06 0.96 0.00 0.00 0.00 0.00 175.10 175.96 1mr5 s ALA 486 N -1.54 -1.92 -0.06 5.51 0.00 0.12 -0.83 121.76 123.05 1mr5 s ALA 486 Ca 0.21 1.58 -0.15 0.00 0.00 0.00 0.00 51.96 53.60 1mr5 s ALA 486 Cb -0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1mr5 s ALA 486 CO 0.11 -0.31 0.38 -1.12 0.00 0.00 0.00 175.76 174.82 1mr5 s SER 487 N -1.03 6.69 0.01 0.00 0.01 -0.92 -0.51 113.70 117.95 1mr5 s SER 487 Ca -0.03 0.82 -0.02 0.00 1.31 0.00 0.00 55.95 58.03 1mr5 s SER 487 Cb -0.01 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 63.98 1mr5 s SER 487 CO 0.02 0.22 0.03 0.68 0.41 0.00 0.00 173.24 174.61 1mr5 s VAL 488 N -0.44 0.08 -0.04 3.43 -7.23 0.15 -1.17 120.40 115.17 1mr5 s VAL 488 Ca 0.22 -0.67 -0.00 0.00 -1.81 0.00 0.00 61.98 59.72 1mr5 s VAL 488 Cb -0.15 -0.28 0.03 0.00 0.56 0.00 0.00 36.38 36.54 1mr5 s VAL 488 CO 0.10 -0.37 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.63 1mr5 s THR 489 N -1.15 0.26 -0.19 5.32 2.01 -0.48 -0.08 115.64 121.32 1mr5 s THR 489 Ca -0.13 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 1mr5 s THR 489 Cb -0.07 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1mr5 s THR 489 CO -0.00 0.19 0.22 -0.63 -0.69 0.00 0.00 174.62 173.71 1mr5 s ILE 490 N 1.33 5.34 -2.08 1.82 1.01 -1.26 -0.25 121.20 127.11 1mr5 s ILE 490 Ca -0.05 0.37 0.20 0.00 0.00 0.00 0.00 60.65 61.17 1mr5 s ILE 490 Cb -0.13 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1mr5 s ILE 490 CO -0.02 0.38 1.05 1.41 0.00 0.00 0.00 174.94 177.76 1mr5 n HIS 491 N 3.79 0.00 -3.65 3.97 8.25 0.17 -2.19 115.22 125.56 1mr5 n HIS 491 Ca -0.13 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.17 1mr5 n HIS 491 Cb 0.52 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 1mr5 n HIS 491 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1mr5 s GLU 492 N -2.08 0.82 0.25 -0.41 2.02 -1.25 -4.98 118.70 113.07 1mr5 s GLU 492 Ca 0.19 0.15 -0.30 0.00 0.02 0.00 0.00 54.97 55.04 1mr5 s GLU 492 Cb 0.16 0.38 -0.09 0.00 0.10 0.00 0.00 34.13 34.68 1mr5 s GLU 492 CO 0.43 -0.22 1.10 0.54 0.02 0.00 0.00 175.26 177.12 1mr5 s VAL 493 N -0.99 3.59 0.51 2.63 0.11 -1.26 -4.84 120.40 120.16 1mr5 s VAL 493 Ca -0.10 1.54 -0.08 0.00 -2.93 0.00 0.00 61.98 60.41 1mr5 s VAL 493 Cb -0.03 -3.98 -0.04 0.00 -1.53 0.00 0.00 36.38 30.80 1mr5 s VAL 493 CO 0.06 0.34 0.86 -2.16 -3.33 0.00 0.00 175.10 170.87 1mr5 s PRO 494 N -1.16 3.60 0.42 1.54 0.04 -1.26 -4.97 135.00 133.21 1mr5 s PRO 494 Ca 0.46 0.41 0.22 0.00 0.04 0.00 0.00 61.00 62.13 1mr5 s PRO 494 Cb -0.31 -2.28 0.32 0.00 0.04 0.00 0.00 34.50 32.26 1mr5 s PRO 494 CO 0.39 -0.29 1.59 0.87 0.04 0.00 0.00 177.00 179.60 1mr5 h LYS 495 N 0.20 0.00 -2.74 4.56 1.57 -1.95 -3.34 116.57 114.87 1mr5 h LYS 495 Ca -0.46 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.42 1mr5 h LYS 495 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 1mr5 h LYS 495 CO 0.62 0.07 0.36 0.20 -0.57 0.00 0.00 179.45 180.13 1mr5 s GLY 496 N -4.24 -0.02 0.11 3.86 0.00 -1.26 -4.80 107.32 100.97 1mr5 s GLY 496 Ca 0.06 -0.27 -0.36 0.00 0.00 0.00 0.00 44.72 44.16 1mr5 s GLY 496 CO 0.68 0.18 1.32 0.00 0.00 0.00 0.00 173.10 175.29 1mr5 n ALA 497 N -0.51 -0.72 -2.99 3.20 0.00 -1.26 -4.56 120.51 113.67 1mr5 n ALA 497 Ca -0.05 0.50 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 1mr5 n ALA 497 Cb 0.60 -2.09 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 1mr5 n ALA 497 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1mr5 s SER 498 N 0.42 0.12 0.36 0.00 0.01 0.22 -4.96 113.70 109.86 1mr5 s SER 498 Ca 0.81 -0.28 -0.18 0.00 1.31 0.00 0.00 55.95 57.62 1mr5 s SER 498 Cb -0.91 0.12 -0.10 0.00 0.21 0.00 0.00 66.02 65.35 1mr5 s SER 498 CO 0.47 -0.24 0.83 -2.16 0.41 0.00 0.00 173.24 172.55 1mr5 s PRO 499 N -1.05 4.14 0.00 12.44 0.04 -1.26 -0.35 135.00 148.96 1mr5 s PRO 499 Ca -0.12 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1mr5 s PRO 499 Cb -0.07 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1mr5 s PRO 499 CO -0.00 0.11 0.00 -0.11 0.04 0.00 0.00 177.00 177.04 1mr5 n LEU 500 N -0.34 0.98 -3.65 -3.56 7.94 -0.73 -3.70 117.00 113.93 1mr5 n LEU 500 Ca 0.04 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.80 1mr5 n LEU 500 Cb 0.53 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.40 1mr5 n LEU 500 CO 0.40 0.12 0.25 -0.22 -1.11 0.00 0.00 177.39 176.84 1mr5 s LEU 501 N -5.46 -0.07 0.00 -1.96 2.96 -1.18 0.11 118.68 113.07 1mr5 s LEU 501 Ca 0.00 0.79 0.00 0.00 -0.22 0.00 0.00 54.13 54.70 1mr5 s LEU 501 Cb 0.00 1.96 0.00 0.00 0.50 0.00 0.00 46.19 48.65 1mr5 s LEU 501 CO 0.00 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 1mr5 n GLY 502 N 1.93 1.07 3.48 7.98 0.00 -0.70 -0.29 105.19 118.66 1mr5 n GLY 502 Ca -0.17 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 1mr5 n GLY 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr5 s ALA 503 N -2.00 3.31 -0.07 4.61 0.00 -0.03 -0.39 121.76 127.19 1mr5 s ALA 503 Ca 0.00 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 50.59 1mr5 s ALA 503 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 1mr5 s ALA 503 CO 0.00 -0.68 0.36 0.45 0.00 0.00 0.00 175.76 175.89 1mr5 s SER 504 N 1.66 6.65 0.21 0.00 0.15 0.30 -1.71 113.70 120.96 1mr5 s SER 504 Ca 0.06 0.77 0.11 0.00 0.70 0.00 0.00 55.95 57.59 1mr5 s SER 504 Cb -0.16 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1mr5 s SER 504 CO 0.07 0.23 1.39 -0.07 1.20 0.00 0.00 173.24 176.06 1mr5 h LEU 505 N 5.52 0.00 0.00 3.45 4.07 -0.74 0.16 115.31 127.78 1mr5 h LEU 505 Ca -0.48 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 56.95 1mr5 h LEU 505 Cb 1.20 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.83 1mr5 h LEU 505 CO 0.67 0.74 -0.41 -0.90 -1.08 0.00 0.00 178.44 177.46 1mr5 n ASP 506 N -3.34 2.33 0.13 -0.43 5.68 -1.21 -4.04 116.55 115.67 1mr5 n ASP 506 Ca 0.01 -2.89 0.04 0.00 -0.50 0.00 0.00 54.79 51.45 1mr5 n ASP 506 Cb 0.81 0.56 0.46 0.00 -1.14 0.00 0.00 41.12 41.81 1mr5 n ASP 506 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1mr5 h SER 507 N 1.20 0.21 0.06 -1.12 0.87 -1.93 -3.28 113.55 109.56 1mr5 h SER 507 Ca -0.32 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.09 1mr5 h SER 507 Cb 1.07 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1mr5 h SER 507 CO 0.53 0.28 -0.57 0.77 -0.53 0.00 0.00 176.83 177.31 1mr5 h SER 508 N 0.23 0.19 0.00 6.23 4.64 -1.97 -3.48 113.55 119.40 1mr5 h SER 508 Ca 0.05 -0.91 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 1mr5 h SER 508 Cb 0.20 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1mr5 h SER 508 CO 0.01 1.25 0.00 0.61 -0.87 0.00 0.00 176.83 177.83 1mr5 n GLY 509 N 1.62 1.44 0.34 -0.77 0.00 -1.24 -4.87 105.19 101.72 1mr5 n GLY 509 Ca -0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.97 1mr5 n GLY 509 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mr5 h GLY 510 N 0.00 0.53 -6.67 -0.02 0.00 -1.92 -3.38 103.07 91.62 1mr5 h GLY 510 Ca 0.00 -0.16 -0.64 0.00 0.00 0.00 0.00 47.33 46.52 1mr5 h GLY 510 CO 0.00 0.12 -0.64 -1.59 0.00 0.00 0.00 176.54 174.43 1mr5 s LYS 511 N -5.38 3.67 -0.07 4.80 0.00 -1.26 -5.06 119.74 116.44 1mr5 s LYS 511 Ca -0.08 -0.49 0.04 0.00 0.00 0.00 0.00 55.97 55.45 1mr5 s LYS 511 Cb 0.19 -3.15 -0.00 0.00 0.00 0.00 0.00 37.83 34.87 1mr5 s LYS 511 CO 0.74 -0.00 -0.21 0.15 0.00 0.00 0.00 175.35 176.03 1mr5 s LYS 512 N 1.06 2.38 0.01 1.78 1.02 -1.26 -0.01 119.74 124.72 1mr5 s LYS 512 Ca 0.03 -0.75 -0.23 0.00 0.02 0.00 0.00 55.97 55.04 1mr5 s LYS 512 Cb -0.14 -1.93 -0.17 0.00 -0.52 0.00 0.00 37.83 35.06 1mr5 s LYS 512 CO 0.02 0.23 1.30 1.25 -0.92 0.00 0.00 175.35 177.23 1mr5 h LEU 513 N 6.44 0.24 -7.00 3.17 5.85 -1.64 -3.31 115.31 119.07 1mr5 h LEU 513 Ca -0.28 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.03 1mr5 h LEU 513 Cb 1.20 -0.07 -0.25 0.00 0.37 0.00 0.00 40.66 41.91 1mr5 h LEU 513 CO 0.47 0.69 0.28 -0.22 -0.34 0.00 0.00 178.44 179.32 1mr5 s LEU 514 N -9.12 -0.63 0.19 2.25 2.96 -1.22 -1.77 118.68 111.34 1mr5 s LEU 514 Ca -0.15 1.01 -0.23 0.00 -0.22 0.00 0.00 54.13 54.54 1mr5 s LEU 514 Cb 0.04 1.93 0.05 0.00 0.50 0.00 0.00 46.19 48.71 1mr5 s LEU 514 CO 0.72 -0.16 0.78 -0.83 -1.32 0.00 0.00 176.35 175.54 1mr5 s GLY 515 N 1.39 -0.29 -0.16 7.98 0.00 -0.59 -0.85 107.32 114.80 1mr5 s GLY 515 Ca -0.09 0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.78 1mr5 s GLY 515 CO -0.16 0.04 -0.17 -2.27 0.00 0.00 0.00 173.10 170.54 1mr5 s LEU 516 N -2.84 1.91 0.54 0.66 2.96 0.60 -0.25 118.68 122.26 1mr5 s LEU 516 Ca 0.08 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1mr5 s LEU 516 Cb -0.03 -1.32 0.03 0.00 0.50 0.00 0.00 46.19 45.37 1mr5 s LEU 516 CO -0.00 -0.02 0.26 -0.44 -1.32 0.00 0.00 176.35 174.83 1mr5 s SER 517 N 1.32 4.45 0.02 3.68 0.01 0.21 -1.78 113.70 121.61 1mr5 s SER 517 Ca 0.03 -1.43 -0.02 0.00 1.31 0.00 0.00 55.95 55.84 1mr5 s SER 517 Cb -0.13 0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 1mr5 s SER 517 CO -0.10 -1.06 0.01 -0.72 0.41 0.00 0.00 173.24 171.78 1mr5 s TYR 518 N -2.83 0.22 0.43 2.43 -0.85 0.53 -0.54 117.35 116.74 1mr5 s TYR 518 Ca 0.22 -0.47 0.03 0.00 -0.52 0.00 0.00 57.07 56.33 1mr5 s TYR 518 Cb -0.01 -0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.14 1mr5 s TYR 518 CO 0.14 -0.23 0.10 0.16 -1.52 0.00 0.00 175.55 174.19 1mr5 s ASP 519 N -1.55 3.14 0.53 -0.18 1.47 -1.00 -0.61 116.67 118.47 1mr5 s ASP 519 Ca -0.14 -1.67 0.27 0.00 1.18 0.00 0.00 52.55 52.19 1mr5 s ASP 519 Cb -0.08 0.51 1.47 0.00 -0.34 0.00 0.00 42.92 44.48 1mr5 s ASP 519 CO -0.01 -0.91 2.09 0.07 0.68 0.00 0.00 175.17 177.09 1mr5 h LYS 520 N 1.68 0.00 -0.68 2.11 2.10 -1.80 -2.25 116.57 117.73 1mr5 h LYS 520 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1mr5 h LYS 520 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1mr5 h LYS 520 CO 0.61 0.11 0.00 0.54 -2.00 0.00 0.00 179.45 178.71 1mr5 n ARG 521 N -3.69 2.56 -1.81 0.07 1.74 -1.26 -4.88 116.66 109.39 1mr5 n ARG 521 Ca -0.02 -1.43 -0.20 0.00 -0.77 0.00 0.00 57.85 55.43 1mr5 n ARG 521 Cb 0.22 -1.70 -0.07 0.00 -1.02 0.00 0.00 32.46 29.89 1mr5 n ARG 521 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1mr5 n HIS 522 N 0.36 -0.30 -3.96 -1.55 8.25 -0.84 -4.96 115.22 112.22 1mr5 n HIS 522 Ca 0.13 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.36 1mr5 n HIS 522 Cb 0.59 -3.56 -0.02 0.00 1.12 0.00 0.00 29.99 28.11 1mr5 n HIS 522 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1mr5 s GLN 523 N -4.09 3.44 0.33 -0.41 -0.21 -1.26 -1.32 119.66 116.13 1mr5 s GLN 523 Ca 0.00 -0.69 -0.21 0.00 0.02 0.00 0.00 55.36 54.48 1mr5 s GLN 523 Cb 0.00 -2.92 -0.10 0.00 1.00 0.00 0.00 33.01 30.99 1mr5 s GLN 523 CO 0.00 0.47 0.85 -1.58 -2.12 0.00 0.00 175.29 172.90 1mr5 s TRP 524 N -1.88 3.52 -0.45 0.91 0.23 0.96 -2.36 118.94 119.87 1mr5 s TRP 524 Ca 0.34 1.52 0.03 0.00 -2.03 0.00 0.00 56.10 55.96 1mr5 s TRP 524 Cb -0.10 -2.75 0.13 0.00 0.03 0.00 0.00 33.47 30.78 1mr5 s TRP 524 CO 0.29 0.14 0.22 -0.65 0.96 0.00 0.00 176.95 177.90 1mr5 s GLN 525 N -2.52 1.50 0.13 4.98 -0.21 0.30 -0.59 119.66 123.24 1mr5 s GLN 525 Ca 0.52 -2.14 -0.30 0.00 0.02 0.00 0.00 55.36 53.46 1mr5 s GLN 525 Cb -0.14 -2.72 -0.06 0.00 1.00 0.00 0.00 33.01 31.09 1mr5 s GLN 525 CO 0.19 -1.11 1.00 -1.25 -2.12 0.00 0.00 175.29 172.00 1mr5 s PRO 526 N 0.27 4.67 -0.25 2.91 0.04 -1.26 0.65 135.00 142.03 1mr5 s PRO 526 Ca 0.16 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 1mr5 s PRO 526 Cb -0.24 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 30.94 1mr5 s PRO 526 CO -0.02 0.18 0.01 0.42 0.04 0.00 0.00 177.00 177.63 1mr5 s ILE 527 N -0.06 3.68 -0.38 0.56 1.01 0.65 -4.57 121.20 122.09 1mr5 s ILE 527 Ca 0.48 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 1mr5 s ILE 527 Cb -0.25 -2.76 0.08 0.00 0.01 0.00 0.00 42.46 39.54 1mr5 s ILE 527 CO 0.31 0.30 0.16 -0.31 0.00 0.00 0.00 174.94 175.40 1mr5 s TYR 528 N 1.50 3.38 0.00 3.97 1.51 -1.26 -1.55 117.35 124.90 1mr5 s TYR 528 Ca 0.05 -1.84 0.00 0.00 -1.01 0.00 0.00 57.07 54.27 1mr5 s TYR 528 Cb -0.15 -2.75 0.00 0.00 -0.11 0.00 0.00 41.96 38.95 1mr5 s TYR 528 CO -0.00 -0.86 0.00 0.41 -1.11 0.00 0.00 175.55 173.99 1mr5 n GLY 529 N 4.75 2.95 1.43 0.71 0.00 -0.73 -0.40 105.19 113.90 1mr5 n GLY 529 Ca -0.09 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1mr5 n GLY 529 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mr5 n SER 530 N 3.24 4.82 -4.78 1.61 3.41 -1.26 -4.61 113.62 116.06 1mr5 n SER 530 Ca 0.00 -2.87 -0.37 0.00 -0.26 0.00 0.00 58.87 55.37 1mr5 n SER 530 Cb 0.00 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 1mr5 n SER 530 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1mr5 s THR 531 N -2.61 3.61 0.29 6.66 2.01 0.47 -4.96 115.64 121.12 1mr5 s THR 531 Ca 0.48 1.23 -0.30 0.00 0.31 0.00 0.00 61.69 63.42 1mr5 s THR 531 Cb 0.37 -3.64 -0.12 0.00 0.01 0.00 0.00 72.50 69.12 1mr5 s THR 531 CO 0.14 0.01 1.54 -2.65 -0.69 0.00 0.00 174.62 172.97 1mr5 n PRO 532 N -0.12 2.55 -2.72 4.92 -0.02 -1.26 -4.60 135.00 133.74 1mr5 n PRO 532 Ca 0.05 0.90 -0.42 0.00 -2.02 0.00 0.00 63.50 62.01 1mr5 n PRO 532 Cb 0.49 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 1mr5 n PRO 532 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mr5 s VAL 533 N -0.18 4.76 -0.29 -1.45 1.01 -1.26 -4.96 120.40 118.03 1mr5 s VAL 533 Ca 0.63 1.95 -0.07 0.00 0.00 0.00 0.00 61.98 64.49 1mr5 s VAL 533 Cb -0.53 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.58 1mr5 s VAL 533 CO 0.51 -0.07 0.09 0.28 0.00 0.00 0.00 175.10 175.91 1mr5 s THR 534 N 2.52 4.08 0.65 3.92 -1.32 -1.26 -5.09 115.64 119.13 1mr5 s THR 534 Ca 0.44 -0.61 -0.18 0.00 -1.21 0.00 0.00 61.69 60.14 1mr5 s THR 534 Cb -0.17 -3.08 -0.01 0.00 -1.51 0.00 0.00 72.50 67.73 1mr5 s THR 534 CO 0.12 0.11 1.28 -2.65 -2.21 0.00 0.00 174.62 171.27 1mr5 n PRO 535 N 4.89 1.12 -3.68 7.08 -0.02 -1.26 -4.62 135.00 138.51 1mr5 n PRO 535 Ca -0.15 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.68 1mr5 n PRO 535 Cb 0.48 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1mr5 n PRO 535 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1mr5 s THR 536 N -1.39 0.01 0.00 3.45 -1.32 0.24 -4.94 115.64 111.69 1mr5 s THR 536 Ca 0.82 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 1mr5 s THR 536 Cb -0.38 -1.55 0.00 0.00 -1.51 0.00 0.00 72.50 69.05 1mr5 s THR 536 CO 0.41 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.40 1mr5 n GLY 537 N -0.40 0.66 3.34 6.08 0.00 -1.26 -0.02 105.19 113.59 1mr5 n GLY 537 Ca -0.10 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 1mr5 n GLY 537 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mr5 s SER 538 N -4.00 -0.40 0.02 1.61 0.15 -1.26 -4.21 113.70 105.61 1mr5 s SER 538 Ca 0.00 0.56 -0.04 0.00 0.70 0.00 0.00 55.95 57.17 1mr5 s SER 538 Cb 0.00 0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 1mr5 s SER 538 CO 0.00 -0.36 0.06 -1.66 1.20 0.00 0.00 173.24 172.49 1mr5 s TRP 539 N -0.64 0.19 0.08 3.44 1.48 -0.44 -4.90 118.94 118.15 1mr5 s TRP 539 Ca -0.07 -0.44 0.07 0.00 -1.06 0.00 0.00 56.10 54.60 1mr5 s TRP 539 Cb -0.03 -0.14 -0.04 0.00 -1.16 0.00 0.00 33.47 32.09 1mr5 s TRP 539 CO 0.04 -0.29 -0.13 -1.21 -4.06 0.00 0.00 176.95 171.29 1mr5 s GLU 540 N -1.99 2.08 0.20 3.25 0.41 -1.26 -4.84 118.70 116.55 1mr5 s GLU 540 Ca -0.10 -1.02 -0.30 0.00 -0.41 0.00 0.00 54.97 53.14 1mr5 s GLU 540 Cb -0.05 -2.26 -0.08 0.00 -1.78 0.00 0.00 34.13 29.96 1mr5 s GLU 540 CO -0.02 0.52 1.16 1.41 -0.49 0.00 0.00 175.26 177.84 1mr5 s MET 541 N -1.94 4.53 0.00 1.61 -2.45 -1.26 -2.77 119.30 117.02 1mr5 s MET 541 Ca 0.19 1.84 0.00 0.00 -1.25 0.00 0.00 55.69 56.46 1mr5 s MET 541 Cb -0.11 -3.24 0.00 0.00 1.25 0.00 0.00 34.83 32.74 1mr5 s MET 541 CO 0.10 -0.01 0.00 0.41 1.05 0.00 0.00 175.02 176.58 1mr5 n GLY 542 N 1.95 1.94 3.72 2.11 0.00 -0.93 -5.04 105.19 108.95 1mr5 n GLY 542 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1mr5 n GLY 542 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mr5 s LYS 543 N -0.27 4.62 -0.25 1.61 2.20 -1.12 -4.92 119.74 121.61 1mr5 s LYS 543 Ca 0.00 1.51 -0.29 0.00 -0.36 0.00 0.00 55.97 56.83 1mr5 s LYS 543 Cb 0.00 -3.38 -0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1mr5 s LYS 543 CO 0.00 0.08 1.26 0.50 -0.36 0.00 0.00 175.35 176.83 1mr5 s ARG 544 N 0.34 4.05 0.02 4.03 3.52 -1.26 -4.39 118.95 125.25 1mr5 s ARG 544 Ca 0.50 1.38 0.05 0.00 -0.13 0.00 0.00 55.73 57.52 1mr5 s ARG 544 Cb -0.24 -3.82 -0.03 0.00 -1.56 0.00 0.00 34.95 29.30 1mr5 s ARG 544 CO 0.30 -0.94 -0.10 0.71 -0.81 0.00 0.00 175.30 174.45 1mr5 s TYR 545 N 3.98 2.78 -0.24 5.12 1.51 0.88 -4.91 117.35 126.47 1mr5 s TYR 545 Ca 0.54 -0.11 -0.15 0.00 -1.01 0.00 0.00 57.07 56.34 1mr5 s TYR 545 Cb -0.18 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 1mr5 s TYR 545 CO 0.19 0.33 0.36 -1.58 -1.11 0.00 0.00 175.55 173.75 1mr5 s HIS 546 N -0.98 3.31 -0.08 2.71 2.46 -1.26 0.30 115.29 121.75 1mr5 s HIS 546 Ca 0.17 0.48 0.05 0.00 0.47 0.00 0.00 55.06 56.22 1mr5 s HIS 546 Cb -0.11 -2.52 -0.01 0.00 -0.13 0.00 0.00 32.58 29.81 1mr5 s HIS 546 CO 0.07 -0.11 -0.24 0.08 -2.47 0.00 0.00 174.74 172.07 1mr5 s VAL 547 N 1.66 2.10 -0.06 0.89 1.01 0.33 -0.17 120.40 126.15 1mr5 s VAL 547 Ca 0.16 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1mr5 s VAL 547 Cb -0.15 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1mr5 s VAL 547 CO 0.08 0.57 -0.03 -0.69 0.00 0.00 0.00 175.10 175.03 1mr5 s VAL 548 N 0.04 0.51 -0.22 2.92 1.01 -0.75 -0.70 120.40 123.21 1mr5 s VAL 548 Ca -0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1mr5 s VAL 548 Cb -0.15 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1mr5 s VAL 548 CO 0.06 0.24 0.02 -0.76 0.00 0.00 0.00 175.10 174.67 1mr5 s LEU 549 N 1.33 3.34 0.17 3.92 1.43 -0.58 -0.61 118.68 127.68 1mr5 s LEU 549 Ca -0.05 -0.19 0.10 0.00 -1.03 0.00 0.00 54.13 52.96 1mr5 s LEU 549 Cb -0.13 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1mr5 s LEU 549 CO -0.02 0.04 -0.18 0.42 0.23 0.00 0.00 176.35 176.83 1mr5 s THR 550 N 1.18 2.72 -0.12 5.49 -4.23 -0.85 -1.08 115.64 118.75 1mr5 s THR 550 Ca 0.03 -1.81 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 1mr5 s THR 550 Cb -0.14 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.45 1mr5 s THR 550 CO 0.02 -0.07 0.25 -0.32 -0.54 0.00 0.00 174.62 173.96 1mr5 s MET 551 N -2.61 0.16 -0.03 3.99 1.75 0.11 -1.10 119.30 121.57 1mr5 s MET 551 Ca 0.21 0.67 -0.29 0.00 -1.25 0.00 0.00 55.69 55.03 1mr5 s MET 551 Cb -0.09 -0.08 0.07 0.00 2.84 0.00 0.00 34.83 37.57 1mr5 s MET 551 CO 0.12 -0.25 0.65 0.00 -0.65 0.00 0.00 175.02 174.89 1mr5 s ALA 552 N 2.05 -1.70 -1.71 4.11 0.00 -0.48 -1.25 121.76 122.78 1mr5 s ALA 552 Ca -0.02 1.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 1mr5 s ALA 552 Cb -0.11 0.10 0.15 0.00 0.00 0.00 0.00 23.12 23.25 1mr5 s ALA 552 CO -0.08 -0.41 0.66 0.09 0.00 0.00 0.00 175.76 176.02 1mr5 n ASN 553 N 0.79 -2.41 -0.20 0.00 3.02 -1.26 -0.09 115.26 115.11 1mr5 n ASN 553 Ca -0.19 -1.08 -0.03 0.00 -0.03 0.00 0.00 54.58 53.26 1mr5 n ASN 553 Cb 0.58 -2.46 -0.01 0.00 -0.61 0.00 0.00 39.78 37.27 1mr5 n ASN 553 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1mr5 n LYS 554 N -4.33 -1.54 -4.65 3.52 5.02 -1.26 -4.98 118.16 109.94 1mr5 n LYS 554 Ca 0.02 0.51 -0.33 0.00 -2.02 0.00 0.00 58.31 56.48 1mr5 n LYS 554 Cb 0.52 -4.71 -0.11 0.00 -0.02 0.00 0.00 35.03 30.70 1mr5 n LYS 554 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1mr5 s ILE 555 N -1.41 3.56 -0.05 -0.18 1.01 0.86 -1.22 121.20 123.77 1mr5 s ILE 555 Ca 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.11 1mr5 s ILE 555 Cb 0.00 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1mr5 s ILE 555 CO 0.00 0.56 -0.19 -0.83 0.00 0.00 0.00 174.94 174.49 1mr5 s GLY 556 N -0.90 1.44 0.11 6.18 0.00 0.19 -1.39 107.32 112.95 1mr5 s GLY 556 Ca 0.13 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.89 1mr5 s GLY 556 CO 0.02 -0.73 -0.12 -0.56 0.00 0.00 0.00 173.10 171.71 1mr5 s SER 557 N -0.51 1.77 -0.05 1.64 0.01 -0.26 0.15 113.70 116.45 1mr5 s SER 557 Ca 0.07 -0.82 -0.00 0.00 1.31 0.00 0.00 55.95 56.51 1mr5 s SER 557 Cb -0.11 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.11 1mr5 s SER 557 CO 0.01 -0.20 0.00 -0.69 0.41 0.00 0.00 173.24 172.78 1mr5 s VAL 558 N -2.29 0.27 -0.04 3.43 1.01 -1.26 -2.00 120.40 119.52 1mr5 s VAL 558 Ca 0.08 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.23 1mr5 s VAL 558 Cb -0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1mr5 s VAL 558 CO 0.02 0.21 -0.22 -0.31 0.00 0.00 0.00 175.10 174.79 1mr5 s TYR 559 N 1.52 2.47 -0.13 5.22 1.51 0.22 -1.19 117.35 126.98 1mr5 s TYR 559 Ca -0.02 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1mr5 s TYR 559 Cb -0.13 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.16 1mr5 s TYR 559 CO -0.03 -0.02 -0.22 0.42 -1.11 0.00 0.00 175.55 174.60 1mr5 s ILE 560 N -0.52 2.00 -1.47 2.71 1.01 -0.16 -1.81 121.20 122.96 1mr5 s ILE 560 Ca 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1mr5 s ILE 560 Cb -0.11 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.59 1mr5 s ILE 560 CO 0.01 0.54 0.00 0.47 0.00 0.00 0.00 174.94 175.96 1mr5 n ASP 561 N 4.00 -4.28 0.00 3.58 10.43 0.76 -1.69 116.55 129.35 1mr5 n ASP 561 Ca -0.20 0.26 0.00 0.00 2.57 0.00 0.00 54.79 57.42 1mr5 n ASP 561 Cb 0.52 -3.76 0.00 0.00 1.84 0.00 0.00 41.12 39.72 1mr5 n ASP 561 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1mr5 n GLY 562 N -0.56 0.20 3.36 0.44 0.00 -1.26 -5.01 105.19 102.36 1mr5 n GLY 562 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1mr5 n GLY 562 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mr5 s GLU 563 N -0.92 2.01 0.82 1.61 0.41 -0.68 -4.81 118.70 117.14 1mr5 s GLU 563 Ca 0.00 -0.99 -0.11 0.00 -0.41 0.00 0.00 54.97 53.46 1mr5 s GLU 563 Cb 0.00 -2.07 0.09 0.00 -1.78 0.00 0.00 34.13 30.37 1mr5 s GLU 563 CO 0.00 0.54 1.13 -2.14 -0.49 0.00 0.00 175.26 174.30 1mr5 s PRO 564 N -0.99 1.76 0.19 0.39 0.02 -1.26 -0.99 135.00 134.11 1mr5 s PRO 564 Ca 0.11 1.41 0.02 0.00 0.02 0.00 0.00 61.00 62.56 1mr5 s PRO 564 Cb -0.10 -1.82 0.03 0.00 0.02 0.00 0.00 34.50 32.63 1mr5 s PRO 564 CO 0.01 -2.06 0.27 1.28 -0.33 0.00 0.00 177.00 176.17 1mr5 n LEU 565 N -3.66 0.00 -4.73 -5.54 4.77 -0.33 -4.76 117.00 102.74 1mr5 n LEU 565 Ca 0.11 -0.73 -0.42 0.00 -0.03 0.00 0.00 56.01 54.94 1mr5 n LEU 565 Cb 0.52 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1mr5 n LEU 565 CO 0.51 -0.59 1.05 -0.70 -1.33 0.00 0.00 177.39 176.32 1mr5 s GLU 566 N -2.93 4.33 0.00 3.23 2.12 -1.26 -2.53 118.70 121.65 1mr5 s GLU 566 Ca 0.19 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.67 1mr5 s GLU 566 Cb -0.01 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.20 1mr5 s GLU 566 CO 0.12 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 1mr5 n GLY 567 N 2.63 0.84 3.53 -1.50 0.00 -1.26 -4.94 105.19 104.49 1mr5 n GLY 567 Ca 0.08 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.61 1mr5 n GLY 567 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mr5 n SER 568 N 0.00 0.61 -0.01 1.61 2.88 -1.05 -3.50 113.62 114.16 1mr5 n SER 568 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1mr5 n SER 568 Cb 0.00 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 1mr5 n SER 568 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mr5 n GLY 569 N 1.78 1.25 3.87 0.46 0.00 0.12 -4.96 105.19 107.71 1mr5 n GLY 569 Ca 0.15 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1mr5 n GLY 569 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mr5 s GLN 570 N -0.38 3.12 0.24 1.61 -0.21 -0.86 -4.76 119.66 118.42 1mr5 s GLN 570 Ca 0.00 -0.88 -0.30 0.00 0.02 0.00 0.00 55.36 54.20 1mr5 s GLN 570 Cb 0.00 -2.72 -0.09 0.00 1.00 0.00 0.00 33.01 31.20 1mr5 s GLN 570 CO 0.00 0.44 1.24 0.99 -2.12 0.00 0.00 175.29 175.84 1mr5 s THR 571 N -1.96 3.23 0.00 -0.19 2.01 -1.26 0.55 115.64 118.02 1mr5 s THR 571 Ca 0.33 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.43 1mr5 s THR 571 Cb -0.09 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1mr5 s THR 571 CO 0.26 0.21 0.24 1.33 -0.69 0.00 0.00 174.62 175.97 1mr5 n VAL 572 N 1.87 0.00 -3.74 3.82 0.24 -0.35 -4.63 118.33 115.54 1mr5 n VAL 572 Ca 0.03 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 61.97 1mr5 n VAL 572 Cb 0.43 1.53 -0.13 0.00 -1.47 0.00 0.00 33.84 34.20 1mr5 n VAL 572 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1mr5 s VAL 573 N -0.00 -0.03 0.65 3.34 0.11 -1.25 -4.52 120.40 118.70 1mr5 s VAL 573 Ca 0.00 0.13 -0.17 0.00 -2.93 0.00 0.00 61.98 59.00 1mr5 s VAL 573 Cb 0.00 -0.35 -0.06 0.00 -1.53 0.00 0.00 36.38 34.44 1mr5 s VAL 573 CO 0.00 0.05 0.61 -2.65 -3.33 0.00 0.00 175.10 169.78 1mr5 n PRO 574 N 4.00 0.48 0.00 1.54 -0.02 -1.26 -4.92 135.00 134.82 1mr5 n PRO 574 Ca -0.23 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1mr5 n PRO 574 Cb 0.54 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1mr5 n PRO 574 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1mr5 n ASP 575 N -0.12 0.00 0.00 2.55 -0.08 -1.26 -3.31 116.55 114.34 1mr5 n ASP 575 Ca 0.11 0.53 0.00 0.00 -1.51 0.00 0.00 54.79 53.92 1mr5 n ASP 575 Cb 0.49 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1mr5 n ASP 575 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1mr5 n GLU 576 N -0.80 0.00 -2.14 -0.67 -0.58 -1.26 -4.77 120.64 110.42 1mr5 n GLU 576 Ca 0.00 0.18 -0.36 0.00 -0.42 0.00 0.00 57.16 56.56 1mr5 n GLU 576 Cb 0.00 -0.30 0.01 0.00 -0.57 0.00 0.00 31.44 30.58 1mr5 n GLU 576 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1mr5 s ARG 577 N -1.93 3.35 -0.18 3.49 0.52 -1.21 -5.06 118.95 117.94 1mr5 s ARG 577 Ca 0.00 1.79 -0.10 0.00 -0.52 0.00 0.00 55.73 56.90 1mr5 s ARG 577 Cb 0.00 -2.14 -0.05 0.00 0.52 0.00 0.00 34.95 33.28 1mr5 s ARG 577 CO 0.00 -0.89 0.16 0.99 0.02 0.00 0.00 175.30 175.58 1mr5 s THR 578 N -1.60 5.40 1.10 0.02 2.01 -1.26 -4.70 115.64 116.61 1mr5 s THR 578 Ca 0.71 0.27 -0.13 0.00 0.31 0.00 0.00 61.69 62.85 1mr5 s THR 578 Cb -0.29 -3.49 0.25 0.00 0.01 0.00 0.00 72.50 68.98 1mr5 s THR 578 CO 0.33 0.46 1.05 -2.84 -0.69 0.00 0.00 174.62 172.94 1mr5 s PRO 579 N 0.12 -0.41 -0.42 4.92 0.02 -1.26 -5.02 135.00 132.96 1mr5 s PRO 579 Ca 0.11 0.68 0.06 0.00 0.02 0.00 0.00 61.00 61.87 1mr5 s PRO 579 Cb -0.12 -1.63 0.21 0.00 0.02 0.00 0.00 34.50 32.99 1mr5 s PRO 579 CO 0.00 -3.34 0.52 -3.47 -0.33 0.00 0.00 177.00 170.39 1mr5 n ASP 580 N -4.62 -0.85 -4.72 2.53 4.64 -1.26 -4.90 116.55 107.37 1mr5 n ASP 580 Ca 0.04 -2.67 -0.42 0.00 -1.38 0.00 0.00 54.79 50.35 1mr5 n ASP 580 Cb 0.56 -0.04 -0.01 0.00 -1.04 0.00 0.00 41.12 40.58 1mr5 n ASP 580 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1mr5 n ILE 581 N 2.13 1.56 0.04 5.18 5.41 -1.26 -4.81 119.36 127.60 1mr5 n ILE 581 Ca 0.22 -0.39 -0.20 0.00 1.00 0.00 0.00 62.75 63.38 1mr5 n ILE 581 Cb 0.53 -1.74 -0.14 0.00 -0.71 0.00 0.00 39.64 37.57 1mr5 n ILE 581 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1mr5 h SER 582 N 3.51 0.45 -5.23 4.38 0.87 -0.81 -2.78 113.55 113.95 1mr5 h SER 582 Ca -0.47 -0.80 0.27 0.00 -1.23 0.00 0.00 61.79 59.56 1mr5 h SER 582 Cb 1.26 -0.15 -0.13 0.00 -0.44 0.00 0.00 62.40 62.94 1mr5 h SER 582 CO 0.70 1.69 0.74 -1.38 -0.53 0.00 0.00 176.83 178.05 1mr5 s HIS 583 N -2.58 -0.10 -0.04 2.24 0.00 -1.21 -1.55 115.29 112.05 1mr5 s HIS 583 Ca -0.16 -0.02 -0.06 0.00 -3.00 0.00 0.00 55.06 51.82 1mr5 s HIS 583 Cb 0.06 0.55 -0.04 0.00 -4.00 0.00 0.00 32.58 29.15 1mr5 s HIS 583 CO 0.82 -0.37 0.21 -0.06 -1.00 0.00 0.00 174.74 174.34 1mr5 s PHE 584 N -2.62 3.58 -0.11 0.38 0.40 0.13 -0.54 117.98 119.20 1mr5 s PHE 584 Ca 0.12 0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 56.94 1mr5 s PHE 584 Cb 0.02 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1mr5 s PHE 584 CO -0.03 0.66 -0.04 1.52 0.70 0.00 0.00 175.22 178.03 1mr5 s TYR 585 N -1.22 3.02 -0.09 0.36 -0.85 0.48 0.73 117.35 119.78 1mr5 s TYR 585 Ca 0.24 -0.07 0.03 0.00 -0.52 0.00 0.00 57.07 56.75 1mr5 s TYR 585 Cb -0.13 -1.83 0.01 0.00 0.38 0.00 0.00 41.96 40.39 1mr5 s TYR 585 CO 0.13 0.22 -0.18 0.08 -1.52 0.00 0.00 175.55 174.28 1mr5 s VAL 586 N -0.36 1.63 -1.43 -3.49 1.01 -0.13 -1.73 120.40 115.90 1mr5 s VAL 586 Ca 0.06 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1mr5 s VAL 586 Cb -0.12 -1.44 0.04 0.00 0.00 0.00 0.00 36.38 34.86 1mr5 s VAL 586 CO 0.02 0.46 1.07 0.61 0.00 0.00 0.00 175.10 177.27 1mr5 n GLY 587 N 3.76 -0.51 0.00 4.51 0.00 0.30 -0.27 105.19 112.98 1mr5 n GLY 587 Ca -0.21 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1mr5 n GLY 587 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mr5 n GLY 588 N -1.82 1.29 0.03 -0.02 0.00 -1.24 -3.42 105.19 100.01 1mr5 n GLY 588 Ca -0.00 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 44.10 1mr5 n GLY 588 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mr5 n TYR 589 N -1.71 0.28 -3.67 1.61 0.53 -1.09 -4.57 117.16 108.54 1mr5 n TYR 589 Ca 0.00 0.08 -0.25 0.00 -1.02 0.00 0.00 57.90 56.71 1mr5 n TYR 589 Cb 0.00 -0.45 0.07 0.00 -1.03 0.00 0.00 39.34 37.92 1mr5 n TYR 589 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 1mr5 n LYS 590 N -2.00 -7.33 -3.70 -0.72 4.81 -0.25 -4.85 118.16 104.12 1mr5 n LYS 590 Ca 0.02 0.77 -0.21 0.00 -0.87 0.00 0.00 58.31 58.02 1mr5 n LYS 590 Cb 0.45 -5.79 -0.18 0.00 0.02 0.00 0.00 35.03 29.53 1mr5 n LYS 590 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1mr5 s ARG 591 N -6.35 0.14 0.47 1.64 1.81 -1.23 -4.89 118.95 110.54 1mr5 s ARG 591 Ca 0.58 0.29 0.19 0.00 -1.72 0.00 0.00 55.73 55.06 1mr5 s ARG 591 Cb -0.26 -0.68 1.15 0.00 -0.45 0.00 0.00 34.95 34.70 1mr5 s ARG 591 CO 0.75 -0.33 2.01 0.66 -0.68 0.00 0.00 175.30 177.72 1mr5 h SER 592 N 8.40 0.00 0.00 0.23 4.64 -1.89 -1.96 113.55 122.97 1mr5 h SER 592 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1mr5 h SER 592 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1mr5 h SER 592 CO 0.19 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 1mr5 n GLY 593 N -0.88 -0.86 3.39 -0.77 0.00 -1.26 -4.74 105.19 100.06 1mr5 n GLY 593 Ca -0.02 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1mr5 n GLY 593 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1mr5 s MET 594 N -2.00 3.47 0.00 1.61 -1.94 -0.74 -5.02 119.30 114.68 1mr5 s MET 594 Ca 0.34 -0.62 0.25 0.00 -1.71 0.00 0.00 55.69 53.96 1mr5 s MET 594 Cb 0.16 -2.84 1.44 0.00 2.01 0.00 0.00 34.83 35.60 1mr5 s MET 594 CO 0.26 0.09 1.86 -0.35 -0.01 0.00 0.00 175.02 176.87 1mr5 n PRO 595 N 3.94 0.67 -2.37 2.03 -0.05 -1.26 -4.36 135.00 133.60 1mr5 n PRO 595 Ca -0.18 0.02 -0.26 0.00 -0.05 0.00 0.00 63.50 63.02 1mr5 n PRO 595 Cb 0.52 -1.50 0.04 0.00 -0.05 0.00 0.00 33.50 32.51 1mr5 n PRO 595 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 1mr5 s THR 596 N -2.16 3.37 -0.30 0.52 -4.23 -1.26 -4.94 115.64 106.63 1mr5 s THR 596 Ca 0.34 -0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.75 1mr5 s THR 596 Cb 0.17 -3.35 0.10 0.00 1.34 0.00 0.00 72.50 70.76 1mr5 s THR 596 CO 0.31 -0.36 0.12 -0.62 -0.54 0.00 0.00 174.62 173.53 1mr5 s ASP 597 N -4.35 3.77 -0.45 3.99 -1.08 -1.26 -3.97 116.67 113.33 1mr5 s ASP 597 Ca 0.55 -1.51 -0.18 0.00 -0.52 0.00 0.00 52.55 50.88 1mr5 s ASP 597 Cb -0.11 -0.62 0.03 0.00 -1.46 0.00 0.00 42.92 40.77 1mr5 s ASP 597 CO 0.45 -0.42 0.53 -0.44 0.52 0.00 0.00 175.17 175.81 1mr5 s SER 598 N 1.80 6.23 -0.75 -0.34 0.01 -1.26 -4.89 113.70 114.50 1mr5 s SER 598 Ca 0.10 -0.68 -0.15 0.00 1.31 0.00 0.00 55.95 56.53 1mr5 s SER 598 Cb -0.17 -2.26 0.18 0.00 0.21 0.00 0.00 66.02 63.98 1mr5 s SER 598 CO -0.29 -0.71 0.74 -0.13 0.41 0.00 0.00 173.24 173.26 1mr5 s ARG 599 N 2.40 3.41 0.07 12.44 1.81 -1.26 -3.67 118.95 134.15 1mr5 s ARG 599 Ca 0.15 -2.11 -0.10 0.00 -1.72 0.00 0.00 55.73 51.95 1mr5 s ARG 599 Cb -0.17 -4.44 0.00 0.00 -0.45 0.00 0.00 34.95 29.90 1mr5 s ARG 599 CO 0.14 -1.38 0.22 0.14 -0.68 0.00 0.00 175.30 173.74 1mr5 s VAL 600 N 1.00 0.12 -0.16 3.52 -7.23 -0.41 0.46 120.40 117.71 1mr5 s VAL 600 Ca 0.15 -0.99 -0.00 0.00 -1.81 0.00 0.00 61.98 59.34 1mr5 s VAL 600 Cb -0.15 -1.13 -0.00 0.00 0.56 0.00 0.00 36.38 35.65 1mr5 s VAL 600 CO -0.05 -0.54 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.17 1mr5 s THR 601 N -3.23 2.78 -0.12 5.32 2.01 0.65 -0.22 115.64 122.82 1mr5 s THR 601 Ca 0.00 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1mr5 s THR 601 Cb 0.02 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1mr5 s THR 601 CO -0.08 0.51 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.53 1mr5 s VAL 602 N 0.81 2.99 0.18 3.82 1.01 -0.63 -1.38 120.40 127.19 1mr5 s VAL 602 Ca -0.05 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.33 1mr5 s VAL 602 Cb -0.15 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1mr5 s VAL 602 CO 0.00 0.54 -0.20 0.20 0.00 0.00 0.00 175.10 175.64 1mr5 s ASN 603 N 0.18 2.91 -0.90 3.32 0.01 -0.32 -1.93 114.94 118.21 1mr5 s ASN 603 Ca -0.08 -0.88 -0.07 0.00 -0.71 0.00 0.00 52.86 51.12 1mr5 s ASN 603 Cb -0.15 -0.19 0.01 0.00 0.41 0.00 0.00 41.25 41.33 1mr5 s ASN 603 CO 0.05 0.00 0.63 0.59 -1.51 0.00 0.00 177.10 176.86 1mr5 n ASN 604 N 0.20 -4.86 -4.70 -1.22 5.03 -0.79 -2.16 115.26 106.76 1mr5 n ASN 604 Ca -0.12 -0.99 -0.42 0.00 0.87 0.00 0.00 54.58 53.91 1mr5 n ASN 604 Cb 0.57 -1.87 -0.03 0.00 -1.02 0.00 0.00 39.78 37.43 1mr5 n ASN 604 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1mr5 s VAL 605 N -3.10 4.78 0.04 2.41 1.01 0.12 -4.41 120.40 121.25 1mr5 s VAL 605 Ca 0.10 2.02 0.06 0.00 0.00 0.00 0.00 61.98 64.15 1mr5 s VAL 605 Cb -0.05 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1mr5 s VAL 605 CO 0.90 0.09 -0.13 -0.76 0.00 0.00 0.00 175.10 175.20 1mr5 s LEU 606 N 1.48 2.87 -0.15 3.92 1.43 -0.01 -1.30 118.68 126.92 1mr5 s LEU 606 Ca 0.51 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1mr5 s LEU 606 Cb -0.20 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.39 1mr5 s LEU 606 CO 0.24 0.25 -0.05 -0.22 0.23 0.00 0.00 176.35 176.80 1mr5 s LEU 607 N -1.54 1.40 0.13 1.79 2.96 -0.20 -0.71 118.68 122.51 1mr5 s LEU 607 Ca 0.16 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1mr5 s LEU 607 Cb -0.11 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 1mr5 s LEU 607 CO 0.07 -0.17 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.59 1mr5 s TYR 608 N 1.69 2.86 -0.38 5.38 1.51 -0.37 -0.08 117.35 127.96 1mr5 s TYR 608 Ca 0.02 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 1mr5 s TYR 608 Cb -0.14 -1.44 0.46 0.00 -0.11 0.00 0.00 41.96 40.73 1mr5 s TYR 608 CO -0.08 0.48 1.78 0.27 -1.11 0.00 0.00 175.55 176.90 1mr5 n ASN 609 N 0.32 4.49 -3.74 2.29 6.94 0.05 -2.37 115.26 123.24 1mr5 n ASN 609 Ca -0.11 -3.28 -0.05 0.00 -0.02 0.00 0.00 54.58 51.12 1mr5 n ASN 609 Cb 0.53 -0.82 -0.02 0.00 -2.36 0.00 0.00 39.78 37.11 1mr5 n ASN 609 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mr5 s ARG 610 N -2.60 1.33 -0.28 -3.83 1.70 -1.26 -4.70 118.95 109.31 1mr5 s ARG 610 Ca 0.45 -0.71 -0.21 0.00 -0.47 0.00 0.00 55.73 54.79 1mr5 s ARG 610 Cb 0.37 0.47 -0.01 0.00 -0.57 0.00 0.00 34.95 35.21 1mr5 s ARG 610 CO 0.06 -0.61 0.68 -1.14 -1.08 0.00 0.00 175.30 173.22 1mr5 s GLN 611 N -3.47 4.03 0.68 3.89 0.74 -1.26 -3.26 119.66 121.01 1mr5 s GLN 611 Ca 0.11 0.53 -0.15 0.00 0.05 0.00 0.00 55.36 55.90 1mr5 s GLN 611 Cb -0.03 -3.69 0.01 0.00 1.10 0.00 0.00 33.01 30.41 1mr5 s GLN 611 CO 0.02 -0.52 1.13 -0.51 -0.55 0.00 0.00 175.29 174.86 1mr5 s LEU 612 N 2.66 3.35 0.72 3.68 1.43 -1.26 -5.04 118.68 124.22 1mr5 s LEU 612 Ca 0.28 2.09 -0.03 0.00 -1.03 0.00 0.00 54.13 55.44 1mr5 s LEU 612 Cb -0.15 -4.56 0.12 0.00 0.03 0.00 0.00 46.19 41.62 1mr5 s LEU 612 CO 0.10 -1.83 1.00 0.54 0.23 0.00 0.00 176.35 176.39 1mr5 s ASN 613 N -2.45 4.38 0.18 2.29 2.20 -1.26 -4.90 114.94 115.38 1mr5 s ASN 613 Ca 0.69 -0.16 -0.16 0.00 -0.94 0.00 0.00 52.86 52.28 1mr5 s ASN 613 Cb -0.23 -0.28 0.13 0.00 -2.00 0.00 0.00 41.25 38.87 1mr5 s ASN 613 CO 0.43 -1.84 1.66 0.00 -2.94 0.00 0.00 177.10 174.41 1mr5 h ALA 614 N -0.58 0.30 -0.50 3.54 0.00 -1.99 -1.72 119.26 118.31 1mr5 h ALA 614 Ca -0.39 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1mr5 h ALA 614 Cb 1.27 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1mr5 h ALA 614 CO 0.44 -0.44 -0.16 0.93 0.00 0.00 0.00 179.25 180.02 1mr5 h GLU 615 N 0.00 0.97 -0.53 0.00 3.07 -1.99 -1.41 114.58 114.70 1mr5 h GLU 615 Ca 0.22 -0.38 -0.09 0.00 -0.50 0.00 0.00 59.36 58.61 1mr5 h GLU 615 Cb 0.33 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 1mr5 h GLU 615 CO -0.46 1.05 -0.05 0.93 -1.40 0.00 0.00 179.01 179.08 1mr5 h GLU 616 N 0.85 0.93 -0.36 2.33 5.08 -1.79 -1.54 114.58 120.09 1mr5 h GLU 616 Ca 0.12 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1mr5 h GLU 616 Cb 0.71 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1mr5 h GLU 616 CO 0.05 0.95 0.07 0.82 -1.00 0.00 0.00 179.01 179.90 1mr5 h ILE 617 N 0.85 1.23 -0.53 3.13 2.04 -1.00 -1.82 117.51 121.41 1mr5 h ILE 617 Ca 0.15 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1mr5 h ILE 617 Cb 0.56 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1mr5 h ILE 617 CO 0.03 0.27 0.22 -0.09 0.00 0.00 0.00 178.15 178.58 1mr5 h ARG 618 N 0.43 0.76 -0.31 2.37 2.43 -1.06 -0.85 114.38 118.15 1mr5 h ARG 618 Ca 0.11 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1mr5 h ARG 618 Cb 0.33 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1mr5 h ARG 618 CO 0.00 0.62 0.06 1.15 -1.51 0.00 0.00 179.97 180.29 1mr5 h THR 619 N 0.76 1.23 -0.33 0.20 2.02 -0.85 -0.83 112.91 115.11 1mr5 h THR 619 Ca 0.18 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 1mr5 h THR 619 Cb 0.14 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1mr5 h THR 619 CO -0.02 0.26 0.16 -0.07 0.37 0.00 0.00 175.52 176.22 1mr5 h LEU 620 N 0.33 0.43 -0.86 2.58 3.38 -1.04 -1.21 115.31 118.92 1mr5 h LEU 620 Ca 0.09 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1mr5 h LEU 620 Cb 0.33 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1mr5 h LEU 620 CO 0.00 0.43 0.56 0.15 0.09 0.00 0.00 178.44 179.68 1mr5 h PHE 621 N 0.40 1.06 0.00 1.13 3.57 -0.85 -2.00 116.94 120.24 1mr5 h PHE 621 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1mr5 h PHE 621 Cb 0.12 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 1mr5 h PHE 621 CO -0.02 0.64 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.52 1mr5 h LEU 622 N 1.12 0.00 -3.02 0.59 3.38 -0.85 -3.23 115.31 113.31 1mr5 h LEU 622 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1mr5 h LEU 622 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1mr5 h LEU 622 CO -0.09 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 1mr5 n SER 623 N -3.32 3.46 -0.37 -0.43 3.41 -0.48 -4.68 113.62 111.21 1mr5 n SER 623 Ca -0.00 -2.34 0.32 0.00 -0.26 0.00 0.00 58.87 56.59 1mr5 n SER 623 Cb 0.33 -0.37 0.65 0.00 -0.26 0.00 0.00 64.21 64.56 1mr5 n SER 623 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1mr5 h GLN 624 N 2.29 0.15 -0.00 4.33 4.20 -1.50 0.21 115.11 124.80 1mr5 h GLN 624 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1mr5 h GLN 624 Cb 1.03 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1mr5 h GLN 624 CO 0.09 0.10 -0.05 -0.25 -0.67 0.00 0.00 178.83 178.05 1mr5 n ASP 625 N -4.41 0.10 -0.02 1.46 8.00 -1.26 -4.11 116.55 116.31 1mr5 n ASP 625 Ca 0.29 0.04 0.01 0.00 0.71 0.00 0.00 54.79 55.84 1mr5 n ASP 625 Cb 1.20 -0.30 -0.08 0.00 -0.02 0.00 0.00 41.12 41.91 1mr5 n ASP 625 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1mr5 n LEU 626 N -1.34 0.00 0.07 0.64 4.77 0.75 -4.71 117.00 117.18 1mr5 n LEU 626 Ca 0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1mr5 n LEU 626 Cb 0.29 0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1mr5 n LEU 626 CO 0.26 0.10 0.20 0.16 -1.33 0.00 0.00 177.39 176.78 1mr5 h ILE 627 N 0.00 1.43 -0.95 -0.08 3.07 -1.69 -3.47 117.51 115.82 1mr5 h ILE 627 Ca -0.11 -2.51 -0.75 0.00 1.55 0.00 0.00 64.86 63.04 1mr5 h ILE 627 Cb 0.96 2.44 0.05 0.00 -0.27 0.00 0.00 36.82 40.00 1mr5 h ILE 627 CO 0.01 0.74 0.05 0.61 -1.05 0.00 0.00 178.15 178.51 1mr5 n GLY 628 N 0.93 -0.28 0.00 0.16 0.00 -1.26 -4.89 105.19 99.84 1mr5 n GLY 628 Ca -0.06 0.72 0.05 0.00 0.00 0.00 0.00 46.02 46.73 1mr5 n GLY 628 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mr5 n THR 629 N 1.41 0.00 -0.26 2.61 -2.24 -1.26 -4.53 114.28 110.01 1mr5 n THR 629 Ca 0.19 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.04 1mr5 n THR 629 Cb 0.08 -0.18 0.19 0.00 -2.10 0.00 0.00 70.33 68.32 1mr5 n THR 629 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1mr5 h GLU 630 N 0.00 0.24 0.00 -0.78 4.81 -1.96 -3.05 114.58 113.84 1mr5 h GLU 630 Ca 0.00 -0.01 -0.38 0.00 -0.13 0.00 0.00 59.36 58.84 1mr5 h GLU 630 Cb 0.00 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 1mr5 h GLU 630 CO 0.00 0.16 -2.44 0.00 -0.73 0.00 0.00 179.01 176.00 1mr5 n ALA 631 N -2.70 1.47 0.20 2.92 0.00 -1.26 -3.84 120.51 117.29 1mr5 n ALA 631 Ca 0.15 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1mr5 n ALA 631 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1mr5 n ALA 631 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mr5 n HIS 632 N -3.06 0.00 1.55 0.00 8.25 -1.21 -5.29 115.22 115.47 1mr5 n HIS 632 Ca -0.41 -0.05 0.12 0.00 -0.26 0.00 0.00 57.72 57.13 1mr5 n HIS 632 Cb 1.05 -0.07 0.74 0.00 1.12 0.00 0.00 29.99 32.83 1mr5 n HIS 632 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86