#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrc n VAL 2 N 0.00 0.51 -4.11 -0.39 0.31 -1.26 -4.14 118.33 109.25 1mrc n VAL 2 Ca 0.00 -0.13 -0.19 0.00 -0.01 0.00 0.00 64.34 64.01 1mrc n VAL 2 Cb 0.00 -1.84 -0.16 0.00 -0.91 0.00 0.00 33.84 30.92 1mrc n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1mrc s GLN 3 N 0.30 0.67 -0.45 5.55 2.00 -0.51 -4.95 119.66 122.27 1mrc s GLN 3 Ca 0.71 -0.06 0.01 0.00 -2.00 0.00 0.00 55.36 54.02 1mrc s GLN 3 Cb -0.55 -0.72 0.12 0.00 0.80 0.00 0.00 33.01 32.66 1mrc s GLN 3 CO 0.41 -0.09 0.20 -0.51 -0.50 0.00 0.00 175.29 174.81 1mrc s LEU 4 N 0.91 4.85 -0.36 3.68 1.43 -1.26 -1.33 118.68 126.59 1mrc s LEU 4 Ca -0.11 -2.45 -0.29 0.00 -1.03 0.00 0.00 54.13 50.25 1mrc s LEU 4 Cb -0.14 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.37 1mrc s LEU 4 CO -0.00 -0.38 1.35 -1.58 0.23 0.00 0.00 176.35 175.97 1mrc s GLN 5 N 0.51 3.74 0.20 1.70 2.00 0.97 -4.01 119.66 124.76 1mrc s GLN 5 Ca 0.13 1.07 0.10 0.00 -2.00 0.00 0.00 55.36 54.66 1mrc s GLN 5 Cb -0.22 -3.95 -0.04 0.00 0.80 0.00 0.00 33.01 29.59 1mrc s GLN 5 CO -0.04 -1.35 -0.21 -0.65 -0.50 0.00 0.00 175.29 172.53 1mrc s GLN 6 N 4.57 1.45 0.85 1.67 -0.21 -1.26 -0.11 119.66 126.63 1mrc s GLN 6 Ca 0.58 -1.53 -0.10 0.00 0.02 0.00 0.00 55.36 54.33 1mrc s GLN 6 Cb -0.15 -1.63 0.11 0.00 1.00 0.00 0.00 33.01 32.34 1mrc s GLN 6 CO 0.28 0.33 1.11 -1.12 -2.12 0.00 0.00 175.29 173.78 1mrc s SER 7 N -2.84 3.64 -0.15 5.90 0.01 -1.26 -4.90 113.70 114.10 1mrc s SER 7 Ca 0.21 1.94 -0.17 0.00 1.31 0.00 0.00 55.95 59.23 1mrc s SER 7 Cb -0.06 -2.51 -0.24 0.00 0.21 0.00 0.00 66.02 63.42 1mrc s SER 7 CO 0.09 -2.61 0.40 1.23 0.41 0.00 0.00 173.24 172.77 1mrc h GLY 8 N -1.52 0.15 -3.00 3.44 0.00 -1.95 -3.34 103.07 96.84 1mrc h GLY 8 Ca -0.44 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.44 1mrc h GLY 8 CO 0.47 0.34 -0.10 0.00 0.00 0.00 0.00 176.54 177.25 1mrc s ALA 9 N -2.43 -0.81 -0.18 3.60 0.00 -1.26 -1.95 121.76 118.74 1mrc s ALA 9 Ca -0.24 -0.18 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 1mrc s ALA 9 Cb 0.05 0.70 0.06 0.00 0.00 0.00 0.00 23.12 23.94 1mrc s ALA 9 CO 0.69 -0.65 0.43 -2.00 0.00 0.00 0.00 175.76 174.23 1mrc s GLU 10 N -3.83 0.40 -0.13 0.00 2.56 0.16 -4.87 118.70 112.99 1mrc s GLU 10 Ca 0.05 0.84 -0.00 0.00 0.00 0.00 0.00 54.97 55.86 1mrc s GLU 10 Cb 0.02 0.03 -0.01 0.00 2.00 0.00 0.00 34.13 36.16 1mrc s GLU 10 CO -0.10 -0.17 -0.13 -1.17 -0.56 0.00 0.00 175.26 173.13 1mrc s LEU 11 N 1.55 2.72 0.02 2.70 2.96 -1.26 -0.33 118.68 127.04 1mrc s LEU 11 Ca -0.09 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 1mrc s LEU 11 Cb -0.09 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1mrc s LEU 11 CO -0.13 0.16 -0.02 0.68 -1.32 0.00 0.00 176.35 175.71 1mrc s VAL 12 N 0.38 0.10 0.32 1.68 -7.23 -0.41 -4.98 120.40 110.26 1mrc s VAL 12 Ca -0.10 -0.87 -0.27 0.00 -1.81 0.00 0.00 61.98 58.93 1mrc s VAL 12 Cb -0.16 -0.25 -0.09 0.00 0.56 0.00 0.00 36.38 36.43 1mrc s VAL 12 CO 0.05 -0.48 1.00 -0.75 -0.31 0.00 0.00 175.10 174.62 1mrc s LYS 13 N -1.40 4.55 0.33 4.82 2.20 -1.25 0.25 119.74 129.24 1mrc s LYS 13 Ca -0.15 1.50 -0.28 0.00 -0.36 0.00 0.00 55.97 56.67 1mrc s LYS 13 Cb -0.10 -2.91 -0.12 0.00 -1.51 0.00 0.00 37.83 33.19 1mrc s LYS 13 CO -0.01 0.21 1.34 -0.35 -0.36 0.00 0.00 175.35 176.18 1mrc n PRO 14 N 0.72 2.21 0.00 4.03 -0.04 -1.26 -2.83 135.00 137.82 1mrc n PRO 14 Ca 0.01 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1mrc n PRO 14 Cb 0.48 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1mrc n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mrc n GLY 15 N 0.96 3.32 3.90 0.55 0.00 -0.68 -4.96 105.19 108.29 1mrc n GLY 15 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1mrc n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrc n ALA 16 N -1.70 -0.80 -2.46 4.61 0.00 -1.13 -4.40 120.51 114.62 1mrc n ALA 16 Ca 0.00 -1.84 -0.29 0.00 0.00 0.00 0.00 53.44 51.30 1mrc n ALA 16 Cb 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.42 1mrc n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mrc s SER 17 N -5.56 3.73 0.02 0.00 1.04 -1.26 -3.03 113.70 108.64 1mrc s SER 17 Ca 0.72 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 56.56 1mrc s SER 17 Cb -0.03 -0.46 -0.01 0.00 0.10 0.00 0.00 66.02 65.62 1mrc s SER 17 CO 0.49 0.18 -0.06 0.54 0.98 0.00 0.00 173.24 175.37 1mrc s VAL 18 N -1.12 0.46 -0.26 5.02 0.11 -1.14 -5.02 120.40 118.45 1mrc s VAL 18 Ca 0.17 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.66 1mrc s VAL 18 Cb -0.10 -0.45 0.07 0.00 -1.53 0.00 0.00 36.38 34.36 1mrc s VAL 18 CO 0.09 -0.09 -0.04 -0.75 -3.33 0.00 0.00 175.10 170.97 1mrc s LYS 19 N -0.73 1.69 0.00 1.54 2.20 -1.26 -1.73 119.74 121.45 1mrc s LYS 19 Ca -0.03 -1.20 -0.18 0.00 -0.36 0.00 0.00 55.97 54.20 1mrc s LYS 19 Cb -0.05 -2.70 -0.06 0.00 -1.51 0.00 0.00 37.83 33.51 1mrc s LYS 19 CO 0.00 -0.66 0.52 -0.51 -0.36 0.00 0.00 175.35 174.34 1mrc s LEU 20 N 1.28 4.45 0.46 5.43 1.02 0.08 -4.89 118.68 126.50 1mrc s LEU 20 Ca -0.03 1.09 0.08 0.00 0.02 0.00 0.00 54.13 55.29 1mrc s LEU 20 Cb -0.19 -2.80 0.02 0.00 0.02 0.00 0.00 46.19 43.24 1mrc s LEU 20 CO -0.07 0.20 0.52 -0.94 0.02 0.00 0.00 176.35 176.08 1mrc s SER 21 N -0.58 5.23 -0.29 2.29 1.04 -1.26 -0.59 113.70 119.54 1mrc s SER 21 Ca 0.28 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 56.04 1mrc s SER 21 Cb -0.18 -0.34 0.17 0.00 0.10 0.00 0.00 66.02 65.77 1mrc s SER 21 CO 0.16 -0.86 0.47 0.00 0.98 0.00 0.00 173.24 173.99 1mrc s LYS 23 N 2.65 3.66 0.13 0.00 2.20 0.85 -2.22 119.74 127.01 1mrc s LYS 23 Ca 0.10 0.34 -0.23 0.00 -0.36 0.00 0.00 55.97 55.83 1mrc s LYS 23 Cb -0.12 -3.88 -0.07 0.00 -1.51 0.00 0.00 37.83 32.25 1mrc s LYS 23 CO -0.28 -1.11 0.69 0.00 -0.36 0.00 0.00 175.35 174.28 1mrc s ALA 24 N 3.66 3.51 0.20 3.13 0.00 -1.26 -0.02 121.76 130.97 1mrc s ALA 24 Ca 0.38 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.41 1mrc s ALA 24 Cb -0.11 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.21 1mrc s ALA 24 CO 0.23 0.34 0.46 -1.54 0.00 0.00 0.00 175.76 175.25 1mrc s SER 25 N -1.16 -0.15 0.00 0.00 1.04 -0.44 -3.89 113.70 109.09 1mrc s SER 25 Ca 0.33 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1mrc s SER 25 Cb -0.21 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1mrc s SER 25 CO 0.23 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1mrc n GLY 26 N -0.32 2.15 3.43 7.32 0.00 -1.26 -1.43 105.19 115.09 1mrc n GLY 26 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1mrc n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mrc s TYR 27 N -3.00 -0.07 -0.56 1.61 1.13 -1.26 -4.20 117.35 110.99 1mrc s TYR 27 Ca 0.00 -0.26 -0.28 0.00 -1.41 0.00 0.00 57.07 55.12 1mrc s TYR 27 Cb 0.00 0.29 0.02 0.00 -1.10 0.00 0.00 41.96 41.17 1mrc s TYR 27 CO 0.00 -0.82 1.34 -0.08 -2.51 0.00 0.00 175.55 173.48 1mrc s THR 28 N -3.86 3.86 0.28 -3.49 -1.32 -1.26 -4.88 115.64 104.97 1mrc s THR 28 Ca 0.08 0.75 0.00 0.00 -1.21 0.00 0.00 61.69 61.32 1mrc s THR 28 Cb 0.00 -4.53 0.32 0.00 -1.51 0.00 0.00 72.50 66.78 1mrc s THR 28 CO -0.05 -1.22 1.63 0.15 -2.21 0.00 0.00 174.62 172.92 1mrc h PHE 29 N 10.53 0.20 0.00 9.09 3.57 -1.94 -1.91 116.94 136.48 1mrc h PHE 29 Ca -0.26 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1mrc h PHE 29 Cb 1.08 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1mrc h PHE 29 CO 1.03 -0.26 0.01 2.41 -2.23 0.00 0.00 178.31 179.28 1mrc n THR 30 N -5.30 0.76 0.27 4.41 -1.04 -1.26 -2.77 114.28 109.36 1mrc n THR 30 Ca 0.20 0.20 0.09 0.00 -2.04 0.00 0.00 64.05 62.49 1mrc n THR 30 Cb 0.65 -1.20 -0.12 0.00 -1.82 0.00 0.00 70.33 67.84 1mrc n THR 30 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1mrc n SER 31 N -1.18 0.92 -4.15 8.00 7.64 -0.72 -4.99 113.62 119.14 1mrc n SER 31 Ca 0.00 -0.31 -0.21 0.00 1.01 0.00 0.00 58.87 59.36 1mrc n SER 31 Cb 0.01 1.52 -0.14 0.00 -1.01 0.00 0.00 64.21 64.59 1mrc n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mrc s TYR 32 N -3.01 1.29 0.47 1.43 2.02 -1.11 -5.13 117.35 113.30 1mrc s TYR 32 Ca -0.02 -0.33 -0.23 0.00 -0.37 0.00 0.00 57.07 56.11 1mrc s TYR 32 Cb 0.12 -0.78 -0.07 0.00 -0.40 0.00 0.00 41.96 40.83 1mrc s TYR 32 CO 0.72 0.03 1.24 -1.58 -1.57 0.00 0.00 175.55 174.39 1mrc s TRP 33 N -0.75 2.73 -0.33 2.71 0.23 -1.26 -4.98 118.94 117.29 1mrc s TRP 33 Ca 0.03 1.47 -0.12 0.00 -2.03 0.00 0.00 56.10 55.45 1mrc s TRP 33 Cb -0.07 -3.54 -0.02 0.00 0.03 0.00 0.00 33.47 29.86 1mrc s TRP 33 CO 0.01 -1.96 0.22 1.41 0.96 0.00 0.00 176.95 177.59 1mrc s MET 34 N -2.63 3.49 0.46 4.98 -2.45 -0.38 -4.57 119.30 118.20 1mrc s MET 34 Ca 0.64 -0.64 0.04 0.00 -1.25 0.00 0.00 55.69 54.47 1mrc s MET 34 Cb -0.34 -3.74 0.01 0.00 1.25 0.00 0.00 34.83 32.02 1mrc s MET 34 CO 0.41 -0.42 0.65 -0.65 1.05 0.00 0.00 175.02 176.07 1mrc s GLN 35 N 1.70 2.82 -0.04 4.11 -1.52 0.85 -2.33 119.66 125.24 1mrc s GLN 35 Ca 0.06 -0.87 -0.02 0.00 -1.95 0.00 0.00 55.36 52.58 1mrc s GLN 35 Cb -0.17 -2.62 0.03 0.00 -0.22 0.00 0.00 33.01 30.02 1mrc s GLN 35 CO 0.10 -0.39 0.10 -1.58 -0.25 0.00 0.00 175.29 173.27 1mrc s TRP 36 N -2.52 -0.09 0.02 0.91 0.52 -1.02 -1.21 118.94 115.54 1mrc s TRP 36 Ca 0.53 0.32 0.04 0.00 0.02 0.00 0.00 56.10 57.01 1mrc s TRP 36 Cb -0.10 -0.10 -0.02 0.00 -1.15 0.00 0.00 33.47 32.11 1mrc s TRP 36 CO 0.36 -0.12 -0.12 0.08 0.02 0.00 0.00 176.95 177.17 1mrc s VAL 37 N 0.86 0.92 -0.07 4.03 1.01 -0.96 -1.24 120.40 124.96 1mrc s VAL 37 Ca -0.07 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1mrc s VAL 37 Cb -0.09 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1mrc s VAL 37 CO -0.04 0.03 -0.14 -0.75 0.00 0.00 0.00 175.10 174.20 1mrc s LYS 38 N -0.89 2.71 -0.08 2.72 2.20 0.44 -1.07 119.74 125.77 1mrc s LYS 38 Ca 0.01 -0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1mrc s LYS 38 Cb -0.07 -2.44 0.03 0.00 -1.51 0.00 0.00 37.83 33.84 1mrc s LYS 38 CO 0.01 0.53 -0.03 -1.14 -0.36 0.00 0.00 175.35 174.36 1mrc s GLN 39 N -0.48 0.88 -0.12 4.03 0.74 0.30 -1.06 119.66 123.94 1mrc s GLN 39 Ca 0.06 -0.02 -0.12 0.00 0.05 0.00 0.00 55.36 55.33 1mrc s GLN 39 Cb -0.12 -1.11 -0.05 0.00 1.10 0.00 0.00 33.01 32.83 1mrc s GLN 39 CO 0.02 -0.26 0.28 1.03 -0.55 0.00 0.00 175.29 175.81 1mrc s ARG 40 N 1.75 4.02 0.00 1.67 1.81 -1.22 -0.50 118.95 126.48 1mrc s ARG 40 Ca 0.03 0.10 0.00 0.00 -1.72 0.00 0.00 55.73 54.14 1mrc s ARG 40 Cb -0.13 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.04 1mrc s ARG 40 CO -0.05 0.44 0.00 -2.30 -0.68 0.00 0.00 175.30 172.71 1mrc n PRO 41 N 2.89 0.00 -0.87 3.54 -0.02 -1.26 -2.07 135.00 137.21 1mrc n PRO 41 Ca -0.14 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.13 1mrc n PRO 41 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.94 1mrc n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mrc n GLY 42 N -0.91 3.12 4.92 -1.23 0.00 -1.26 -4.85 105.19 104.98 1mrc n GLY 42 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1mrc n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mrc n GLN 43 N 3.40 0.00 -0.75 1.61 -0.06 -0.88 -4.93 117.38 115.76 1mrc n GLN 43 Ca 0.47 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 55.21 1mrc n GLN 43 Cb 0.38 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.54 1mrc n GLN 43 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1mrc n GLY 44 N 0.00 -0.71 3.19 1.69 0.00 -1.26 -4.73 105.19 103.36 1mrc n GLY 44 Ca 0.00 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1mrc n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mrc s LEU 45 N 1.16 2.05 -0.05 0.99 1.43 -1.26 -3.44 118.68 119.56 1mrc s LEU 45 Ca 0.38 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1mrc s LEU 45 Cb -0.54 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.33 1mrc s LEU 45 CO 0.30 0.12 -0.10 -1.61 0.23 0.00 0.00 176.35 175.29 1mrc s GLU 46 N 0.52 1.31 0.36 1.70 2.02 -0.23 -4.97 118.70 119.41 1mrc s GLU 46 Ca -0.15 -0.34 -0.25 0.00 0.02 0.00 0.00 54.97 54.26 1mrc s GLU 46 Cb -0.17 -1.15 -0.10 0.00 0.10 0.00 0.00 34.13 32.81 1mrc s GLU 46 CO 0.05 0.06 0.97 -0.46 0.02 0.00 0.00 175.26 175.90 1mrc s TRP 47 N 0.50 3.51 -0.04 1.61 -0.00 -1.26 -0.42 118.94 122.83 1mrc s TRP 47 Ca -0.09 1.71 -0.00 0.00 -0.00 0.00 0.00 56.10 57.72 1mrc s TRP 47 Cb -0.13 -2.97 -0.02 0.00 -0.00 0.00 0.00 33.47 30.35 1mrc s TRP 47 CO 0.02 -0.08 -0.04 -0.89 -0.00 0.00 0.00 176.95 175.96 1mrc n ILE 48 N 0.18 0.24 -1.71 5.86 5.41 -0.37 -4.81 119.36 124.16 1mrc n ILE 48 Ca 0.04 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1mrc n ILE 48 Cb 0.51 -0.93 0.00 0.00 -0.71 0.00 0.00 39.64 38.50 1mrc n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mrc n GLY 49 N 3.12 -1.33 3.34 7.39 0.00 -1.25 -1.34 105.19 115.12 1mrc n GLY 49 Ca -0.08 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1mrc n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mrc s GLU 50 N -1.11 1.15 0.32 1.61 -1.05 -0.36 -2.43 118.70 116.83 1mrc s GLU 50 Ca 0.00 -1.17 -0.19 0.00 -0.15 0.00 0.00 54.97 53.47 1mrc s GLU 50 Cb 0.00 0.38 0.05 0.00 -0.44 0.00 0.00 34.13 34.12 1mrc s GLU 50 CO 0.00 -0.42 0.81 -1.50 0.95 0.00 0.00 175.26 175.10 1mrc s ILE 51 N -3.97 0.00 -0.38 1.83 2.07 -0.99 -1.86 121.20 117.91 1mrc s ILE 51 Ca 0.17 -0.94 -0.03 0.00 -1.41 0.00 0.00 60.65 58.44 1mrc s ILE 51 Cb 0.03 -2.57 0.08 0.00 0.13 0.00 0.00 42.46 40.14 1mrc s ILE 51 CO -0.00 0.00 2.60 -1.20 -1.91 0.00 0.00 174.94 174.43 1mrc n SER 55 N -1.05 6.38 -4.34 4.50 7.64 -1.26 -1.25 113.62 124.24 1mrc n SER 55 Ca -0.06 -3.11 -0.47 0.00 1.01 0.00 0.00 58.87 56.24 1mrc n SER 55 Cb 0.60 -1.19 -0.02 0.00 -1.01 0.00 0.00 64.21 62.58 1mrc n SER 55 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mrc s TYR 56 N -1.54 3.65 0.33 1.43 1.51 -1.26 -5.05 117.35 116.43 1mrc s TYR 56 Ca 0.51 -1.86 -0.26 0.00 -1.01 0.00 0.00 57.07 54.45 1mrc s TYR 56 Cb 0.33 -3.85 -0.10 0.00 -0.11 0.00 0.00 41.96 38.24 1mrc s TYR 56 CO -0.14 -1.03 0.97 0.99 -1.11 0.00 0.00 175.55 175.23 1mrc s THR 57 N 0.53 4.08 -0.17 -0.71 2.01 -1.26 -5.00 115.64 115.12 1mrc s THR 57 Ca 0.17 1.74 -0.01 0.00 0.31 0.00 0.00 61.69 63.90 1mrc s THR 57 Cb -0.12 -3.97 0.05 0.00 0.01 0.00 0.00 72.50 68.47 1mrc s THR 57 CO -0.07 0.15 -0.03 0.21 -0.69 0.00 0.00 174.62 174.18 1mrc s ASN 58 N -1.55 2.90 0.36 3.53 3.04 -0.78 -5.00 114.94 117.45 1mrc s ASN 58 Ca 0.51 -0.73 0.07 0.00 0.04 0.00 0.00 52.86 52.75 1mrc s ASN 58 Cb -0.20 -0.84 -0.02 0.00 -1.54 0.00 0.00 41.25 38.65 1mrc s ASN 58 CO 0.26 -0.22 0.35 -0.31 -3.04 0.00 0.00 177.10 174.14 1mrc s TYR 59 N 1.68 2.86 0.09 0.43 1.51 -1.26 -1.22 117.35 121.44 1mrc s TYR 59 Ca -0.00 -0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 55.53 1mrc s TYR 59 Cb -0.16 -1.97 -0.07 0.00 -0.11 0.00 0.00 41.96 39.66 1mrc s TYR 59 CO -0.07 0.03 0.54 1.21 -1.11 0.00 0.00 175.55 176.15 1mrc s ASN 60 N -4.08 6.96 0.51 2.29 3.84 -0.45 -4.95 114.94 119.07 1mrc s ASN 60 Ca 0.44 1.17 0.29 0.00 0.21 0.00 0.00 52.86 54.97 1mrc s ASN 60 Cb -0.06 -2.32 1.32 0.00 -0.55 0.00 0.00 41.25 39.64 1mrc s ASN 60 CO 0.28 0.23 1.99 -0.61 -2.79 0.00 0.00 177.10 176.19 1mrc h GLN 61 N 4.24 0.00 -0.07 0.43 5.75 -1.96 -2.85 115.11 120.65 1mrc h GLN 61 Ca -0.50 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 57.83 1mrc h GLN 61 Cb 1.21 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 1mrc h GLN 61 CO 0.64 0.12 -0.72 -0.22 -2.65 0.00 0.00 178.83 176.00 1mrc h LYS 62 N 0.00 0.36 -0.61 1.69 3.64 -1.95 -2.97 116.57 116.73 1mrc h LYS 62 Ca -0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1mrc h LYS 62 Cb 0.49 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1mrc h LYS 62 CO 0.02 0.93 0.00 1.19 -2.27 0.00 0.00 179.45 179.32 1mrc n PHE 63 N -3.83 1.94 -0.25 1.91 3.01 -1.10 -4.65 117.46 114.49 1mrc n PHE 63 Ca -0.04 -0.68 -0.12 0.00 1.01 0.00 0.00 57.45 57.62 1mrc n PHE 63 Cb 0.70 -0.47 -0.10 0.00 -0.01 0.00 0.00 39.48 39.60 1mrc n PHE 63 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1mrc h LYS 64 N 3.81 -0.22 -0.64 -1.08 1.57 -1.34 -1.63 116.57 117.05 1mrc h LYS 64 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1mrc h LYS 64 Cb 1.87 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.23 1mrc h LYS 64 CO 0.45 -0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.59 1mrc n GLY 65 N -1.32 2.68 0.09 3.86 0.00 -1.26 -4.36 105.19 104.88 1mrc n GLY 65 Ca -0.01 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 1mrc n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mrc n LYS 66 N 0.85 0.79 -4.12 1.61 5.02 -0.65 -4.95 118.16 116.72 1mrc n LYS 66 Ca 0.25 0.07 -0.26 0.00 -2.02 0.00 0.00 58.31 56.35 1mrc n LYS 66 Cb 0.97 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 34.55 1mrc n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mrc s ALA 67 N -2.36 3.47 -0.33 7.82 0.00 -1.00 -3.62 121.76 125.75 1mrc s ALA 67 Ca -0.20 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.53 1mrc s ALA 67 Cb 0.06 -1.26 0.15 0.00 0.00 0.00 0.00 23.12 22.07 1mrc s ALA 67 CO 0.47 0.50 0.39 0.95 0.00 0.00 0.00 175.76 178.07 1mrc s THR 68 N -1.74 -0.49 0.09 0.00 -4.23 -0.72 -4.92 115.64 103.64 1mrc s THR 68 Ca 0.30 -0.57 -0.30 0.00 -1.18 0.00 0.00 61.69 59.93 1mrc s THR 68 Cb -0.10 -0.81 -0.06 0.00 1.34 0.00 0.00 72.50 72.87 1mrc s THR 68 CO 0.22 -0.42 1.10 -0.76 -0.54 0.00 0.00 174.62 174.23 1mrc s LEU 69 N 2.05 4.42 0.43 4.79 1.43 -1.26 -3.06 118.68 127.48 1mrc s LEU 69 Ca 0.13 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 1mrc s LEU 69 Cb -0.13 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1mrc s LEU 69 CO -0.20 -0.31 0.13 0.28 0.23 0.00 0.00 176.35 176.48 1mrc s THR 70 N 0.54 0.57 0.20 5.49 -1.32 -1.09 -4.92 115.64 115.11 1mrc s THR 70 Ca 0.53 -2.00 -0.15 0.00 -1.21 0.00 0.00 61.69 58.86 1mrc s THR 70 Cb -0.27 -2.28 0.06 0.00 -1.51 0.00 0.00 72.50 68.49 1mrc s THR 70 CO 0.31 0.00 0.75 0.55 -2.21 0.00 0.00 174.62 174.02 1mrc n VAL 71 N -0.97 0.00 -2.17 5.08 3.14 -1.26 -2.28 118.33 119.86 1mrc n VAL 71 Ca -0.07 -0.57 -0.02 0.00 -2.96 0.00 0.00 64.34 60.72 1mrc n VAL 71 Cb 0.65 0.67 -0.02 0.00 -1.06 0.00 0.00 33.84 34.08 1mrc n VAL 71 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1mrc n ASP 72 N -1.25 -4.17 0.00 6.55 9.92 -1.26 -4.86 116.55 121.49 1mrc n ASP 72 Ca -0.04 1.21 0.00 0.00 -0.53 0.00 0.00 54.79 55.44 1mrc n ASP 72 Cb 0.47 -4.21 0.00 0.00 -0.64 0.00 0.00 41.12 36.73 1mrc n ASP 72 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1mrc n SER 76 N 1.34 0.00 0.00 -2.24 7.64 -1.25 -4.93 113.62 114.18 1mrc n SER 76 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1mrc n SER 76 Cb 0.26 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1mrc n SER 76 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1mrc n THR 77 N -0.36 0.00 -3.69 0.44 -2.24 -1.26 -4.30 114.28 102.88 1mrc n THR 77 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1mrc n THR 77 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 1mrc n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mrc s ALA 78 N -2.00 -1.16 0.28 6.98 0.00 -0.94 -4.54 121.76 120.38 1mrc s ALA 78 Ca 0.00 1.65 0.10 0.00 0.00 0.00 0.00 51.96 53.71 1mrc s ALA 78 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 1mrc s ALA 78 CO 0.00 -0.29 -0.08 0.71 0.00 0.00 0.00 175.76 176.10 1mrc s TYR 79 N 1.46 2.51 -0.04 0.00 1.51 -0.97 -1.28 117.35 120.54 1mrc s TYR 79 Ca -0.09 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1mrc s TYR 79 Cb -0.08 -1.16 0.02 0.00 -0.11 0.00 0.00 41.96 40.64 1mrc s TYR 79 CO -0.14 0.64 -0.02 1.41 -1.11 0.00 0.00 175.55 176.34 1mrc s MET 80 N -3.62 0.56 -0.17 -0.62 1.75 0.25 -2.67 119.30 114.78 1mrc s MET 80 Ca 0.31 0.02 -0.01 0.00 -1.25 0.00 0.00 55.69 54.76 1mrc s MET 80 Cb -0.05 -0.72 -0.01 0.00 2.84 0.00 0.00 34.83 36.89 1mrc s MET 80 CO 0.18 -0.15 -0.12 -1.14 -0.65 0.00 0.00 175.02 173.14 1mrc s GLN 81 N 1.19 3.30 0.00 4.11 0.74 -1.17 -0.74 119.66 127.09 1mrc s GLN 81 Ca -0.07 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 54.64 1mrc s GLN 81 Cb -0.14 -2.74 0.00 0.00 1.10 0.00 0.00 33.01 31.24 1mrc s GLN 81 CO -0.02 -0.00 0.00 1.28 -0.55 0.00 0.00 175.29 176.00 1mrc n LEU 82 N 4.16 0.00 -1.07 3.68 4.77 -0.71 -1.75 117.00 126.08 1mrc n LEU 82 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1mrc n LEU 82 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1mrc n LEU 82 CO 0.29 -0.38 0.00 -1.20 -1.33 0.00 0.00 177.39 174.77 1mrc n SER 82 N -2.27 0.00 -4.73 -1.43 7.64 -1.17 -2.87 113.62 108.79 1mrc n SER 82 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1mrc n SER 82 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1mrc n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1mrc n LEU 82 N -0.32 4.41 0.00 -3.43 4.77 -1.18 -4.68 117.00 116.57 1mrc n LEU 82 Ca 0.00 1.13 -0.27 0.00 -0.03 0.00 0.00 56.01 56.85 1mrc n LEU 82 Cb 0.00 -1.54 -0.07 0.00 -2.33 0.00 0.00 43.42 39.47 1mrc n LEU 82 CO 0.00 -0.39 -0.18 0.35 -1.33 0.00 0.00 177.39 175.85 1mrc n THR 83 N -0.09 0.00 0.25 -5.08 -2.24 -1.26 -1.68 114.28 104.18 1mrc n THR 83 Ca 0.05 -2.37 0.13 0.00 -2.27 0.00 0.00 64.05 59.59 1mrc n THR 83 Cb 0.40 0.77 0.65 0.00 -2.10 0.00 0.00 70.33 70.05 1mrc n THR 83 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1mrc h SER 84 N 1.53 0.00 0.34 3.42 4.64 -1.97 -1.50 113.55 120.01 1mrc h SER 84 Ca -0.34 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.90 1mrc h SER 84 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1mrc h SER 84 CO 0.54 0.14 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.93 1mrc h GLU 85 N 0.00 0.06 0.00 4.77 4.39 -1.95 -2.98 114.58 118.87 1mrc h GLU 85 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1mrc h GLU 85 Cb 0.48 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1mrc h GLU 85 CO 0.02 0.43 0.00 -0.25 -1.16 0.00 0.00 179.01 178.05 1mrc n ASP 86 N -4.07 0.00 -4.41 1.42 9.92 -0.57 -4.64 116.55 114.21 1mrc n ASP 86 Ca -0.02 -1.29 -0.44 0.00 -0.53 0.00 0.00 54.79 52.51 1mrc n ASP 86 Cb 0.43 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.84 1mrc n ASP 86 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1mrc s SER 87 N -1.36 6.19 0.38 -2.24 0.01 -1.13 -4.84 113.70 110.71 1mrc s SER 87 Ca 0.01 -1.19 -0.13 0.00 1.31 0.00 0.00 55.95 55.95 1mrc s SER 87 Cb 0.01 -2.26 0.04 0.00 0.21 0.00 0.00 66.02 64.02 1mrc s SER 87 CO 0.01 -0.87 0.72 0.00 0.41 0.00 0.00 173.24 173.51 1mrc s ALA 88 N 2.31 -0.41 -0.13 1.44 0.00 -1.20 -4.80 121.76 118.96 1mrc s ALA 88 Ca 0.11 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.97 1mrc s ALA 88 Cb -0.22 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1mrc s ALA 88 CO 0.09 -0.94 0.45 0.08 0.00 0.00 0.00 175.76 175.43 1mrc s VAL 89 N -2.47 5.20 -0.12 0.00 1.01 0.35 -2.24 120.40 122.12 1mrc s VAL 89 Ca 0.19 0.89 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 1mrc s VAL 89 Cb -0.04 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1mrc s VAL 89 CO 0.13 0.32 -0.12 -0.31 0.00 0.00 0.00 175.10 175.12 1mrc s TYR 90 N 0.71 2.83 0.32 5.22 2.02 -0.86 -0.54 117.35 127.05 1mrc s TYR 90 Ca 0.24 -0.55 0.10 0.00 -0.37 0.00 0.00 57.07 56.49 1mrc s TYR 90 Cb -0.15 -1.84 -0.06 0.00 -0.40 0.00 0.00 41.96 39.52 1mrc s TYR 90 CO 0.09 -0.15 -0.08 0.71 -1.57 0.00 0.00 175.55 174.55 1mrc s TYR 91 N 0.24 2.44 0.11 2.71 2.02 -0.23 -1.16 117.35 123.48 1mrc s TYR 91 Ca -0.08 -0.42 0.09 0.00 -0.37 0.00 0.00 57.07 56.30 1mrc s TYR 91 Cb -0.15 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 1mrc s TYR 91 CO 0.05 0.59 -0.24 0.00 -1.57 0.00 0.00 175.55 174.39 1mrc s ALA 93 N -1.12 -1.76 -0.44 0.00 0.00 -0.35 -1.05 121.76 117.04 1mrc s ALA 93 Ca 0.10 1.12 -0.07 0.00 0.00 0.00 0.00 51.96 53.10 1mrc s ALA 93 Cb -0.10 0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.28 1mrc s ALA 93 CO 0.05 -0.50 0.29 -0.80 0.00 0.00 0.00 175.76 174.79 1mrc s ASN 94 N -1.75 5.56 -0.48 0.00 0.02 0.05 -0.11 114.94 118.23 1mrc s ASN 94 Ca -0.04 -1.85 0.03 0.00 -1.02 0.00 0.00 52.86 49.97 1mrc s ASN 94 Cb -0.00 -1.95 0.61 0.00 0.02 0.00 0.00 41.25 39.92 1mrc s ASN 94 CO -0.00 -0.62 1.92 0.18 0.02 0.00 0.00 177.10 178.61 1mrc n LEU 95 N 4.82 6.85 -4.56 0.60 4.32 -1.25 -1.23 117.00 126.56 1mrc n LEU 95 Ca -0.07 -3.69 -0.41 0.00 -0.02 0.00 0.00 56.01 51.82 1mrc n LEU 95 Cb 0.41 -0.86 -0.03 0.00 -1.62 0.00 0.00 43.42 41.32 1mrc n LEU 95 CO 0.39 1.12 1.48 -0.60 -1.22 0.00 0.00 177.39 178.56 1mrc s ARG 96 N -3.32 3.60 2.60 3.23 6.06 -0.16 -4.90 118.95 126.06 1mrc s ARG 96 Ca 0.57 -1.15 0.00 0.00 -2.50 0.00 0.00 55.73 52.65 1mrc s ARG 96 Cb 0.47 -5.35 0.00 0.00 0.06 0.00 0.00 34.95 30.13 1mrc s ARG 96 CO 0.08 -2.20 0.00 0.41 -2.50 0.00 0.00 175.30 171.09 1mrc n GLY 97 N 6.84 2.60 0.00 8.12 0.00 -1.26 0.75 105.19 122.24 1mrc n GLY 97 Ca 0.33 0.34 0.08 0.00 0.00 0.00 0.00 46.02 46.76 1mrc n GLY 97 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1mrc n TYR 98 N 10.59 0.00 -3.55 1.61 4.11 -1.26 -4.07 117.16 124.59 1mrc n TYR 98 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.49 1mrc n TYR 98 Cb 0.00 -0.22 -0.06 0.00 -0.00 0.00 0.00 39.34 39.05 1mrc n TYR 98 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.86 176.98 1mrc s PHE 99 N -2.45 3.56 -0.21 -3.48 5.36 0.23 -5.02 117.98 115.96 1mrc s PHE 99 Ca 0.17 -2.41 0.00 0.00 -0.96 0.00 0.00 56.93 53.73 1mrc s PHE 99 Cb 0.11 -3.47 0.05 0.00 -0.34 0.00 0.00 43.02 39.37 1mrc s PHE 99 CO 0.23 -0.90 -0.05 0.34 -1.46 0.00 0.00 175.22 173.37 1mrc s ASP 101 N 1.30 3.48 -0.03 6.13 2.15 -1.22 -0.99 116.67 127.48 1mrc s ASP 101 Ca 0.18 -0.99 -0.00 0.00 0.43 0.00 0.00 52.55 52.16 1mrc s ASP 101 Cb -0.16 -1.08 0.03 0.00 -0.30 0.00 0.00 42.92 41.41 1mrc s ASP 101 CO -0.06 -0.22 0.01 -0.31 -0.17 0.00 0.00 175.17 174.43 1mrc s TYR 102 N 1.49 0.27 0.00 -5.34 2.02 -0.36 -4.96 117.35 110.46 1mrc s TYR 102 Ca -0.03 0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.75 1mrc s TYR 102 Cb -0.18 -0.43 -0.03 0.00 -0.40 0.00 0.00 41.96 40.92 1mrc s TYR 102 CO -0.07 -0.15 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.05 1mrc s TRP 103 N 1.28 2.72 0.79 2.71 0.52 -1.26 -0.77 118.94 124.93 1mrc s TRP 103 Ca -0.06 -0.15 -0.12 0.00 0.02 0.00 0.00 56.10 55.79 1mrc s TRP 103 Cb -0.13 -1.56 0.07 0.00 -1.15 0.00 0.00 33.47 30.70 1mrc s TRP 103 CO -0.02 0.28 1.11 0.20 0.02 0.00 0.00 176.95 178.54 1mrc s GLY 104 N -1.26 1.61 0.55 0.98 0.00 -0.21 -4.77 107.32 104.22 1mrc s GLY 104 Ca 0.15 -0.34 0.27 0.00 0.00 0.00 0.00 44.72 44.79 1mrc s GLY 104 CO 0.05 0.10 2.15 1.46 0.00 0.00 0.00 173.10 176.86 1mrc h GLN 105 N -1.03 0.00 0.00 2.90 4.20 -1.91 -3.44 115.11 115.83 1mrc h GLN 105 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1mrc h GLN 105 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1mrc h GLN 105 CO 0.62 0.07 0.00 0.41 -0.67 0.00 0.00 178.83 179.25 1mrc n GLY 106 N -1.05 1.84 2.84 3.46 0.00 -1.26 -5.02 105.19 106.00 1mrc n GLY 106 Ca -0.02 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 1mrc n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mrc s THR 107 N -2.56 0.82 -0.23 2.61 2.01 -0.31 -4.50 115.64 113.48 1mrc s THR 107 Ca 0.00 -0.34 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 1mrc s THR 107 Cb 0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 1mrc s THR 107 CO 0.00 0.17 0.85 -0.89 -0.69 0.00 0.00 174.62 174.07 1mrc s THR 108 N 1.77 4.83 -0.45 -0.82 2.01 -0.82 -2.03 115.64 120.13 1mrc s THR 108 Ca 0.03 1.63 -0.08 0.00 0.31 0.00 0.00 61.69 63.57 1mrc s THR 108 Cb -0.14 -4.14 0.11 0.00 0.01 0.00 0.00 72.50 68.34 1mrc s THR 108 CO -0.07 -0.07 0.30 -0.22 -0.69 0.00 0.00 174.62 173.86 1mrc s LEU 109 N 2.77 5.46 -0.23 4.42 1.98 -0.95 0.36 118.68 132.50 1mrc s LEU 109 Ca 0.36 -1.81 -0.16 0.00 -2.89 0.00 0.00 54.13 49.62 1mrc s LEU 109 Cb -0.15 -1.97 -0.03 0.00 0.66 0.00 0.00 46.19 44.69 1mrc s LEU 109 CO 0.08 -0.62 0.44 -0.89 -1.89 0.00 0.00 176.35 173.46 1mrc s THR 110 N 1.34 5.15 -0.36 3.68 2.01 0.56 -3.21 115.64 124.80 1mrc s THR 110 Ca 0.05 0.75 -0.11 0.00 0.31 0.00 0.00 61.69 62.69 1mrc s THR 110 Cb -0.25 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.51 1mrc s THR 110 CO -0.01 0.18 0.21 -0.69 -0.69 0.00 0.00 174.62 173.63 1mrc s VAL 111 N 1.76 4.77 -0.14 3.82 1.01 -1.26 -1.28 120.40 129.07 1mrc s VAL 111 Ca 0.19 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1mrc s VAL 111 Cb -0.15 -3.58 0.10 0.00 0.00 0.00 0.00 36.38 32.75 1mrc s VAL 111 CO 0.09 -0.15 0.85 -0.55 0.00 0.00 0.00 175.10 175.34 1mrc s SER 112 N 1.61 -0.53 0.16 3.32 0.15 0.14 -4.72 113.70 113.83 1mrc s SER 112 Ca 0.04 0.68 0.26 0.00 0.70 0.00 0.00 55.95 57.63 1mrc s SER 112 Cb -0.18 0.57 0.92 0.00 -1.71 0.00 0.00 66.02 65.62 1mrc s SER 112 CO 0.07 -0.41 1.80 -1.54 1.20 0.00 0.00 173.24 174.36 1mrc n SER 113 N 1.16 0.59 -4.52 5.45 3.41 -1.26 -3.92 113.62 114.52 1mrc n SER 113 Ca -0.14 0.56 -0.34 0.00 -0.26 0.00 0.00 58.87 58.69 1mrc n SER 113 Cb 0.57 -0.72 0.11 0.00 -0.26 0.00 0.00 64.21 63.91 1mrc n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mrc n ALA 114 N -1.71 -1.46 -2.79 7.33 0.00 -1.26 -4.99 120.51 115.62 1mrc n ALA 114 Ca 0.06 -0.43 -0.35 0.00 0.00 0.00 0.00 53.44 52.72 1mrc n ALA 114 Cb 0.38 -1.97 -0.09 0.00 0.00 0.00 0.00 19.45 17.78 1mrc n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1mrc s LYS 115 N -3.59 3.85 0.23 0.00 -0.14 -1.26 -5.05 119.74 113.78 1mrc s LYS 115 Ca 0.64 -0.28 -0.31 0.00 -1.36 0.00 0.00 55.97 54.66 1mrc s LYS 115 Cb -0.27 -3.23 -0.14 0.00 -1.68 0.00 0.00 37.83 32.51 1mrc s LYS 115 CO 0.60 0.41 1.35 2.41 -0.76 0.00 0.00 175.35 179.36 1mrc n THR 116 N 3.12 0.96 -3.72 2.17 -1.04 -1.26 -4.83 114.28 109.69 1mrc n THR 116 Ca -0.17 -0.24 -0.16 0.00 -2.04 0.00 0.00 64.05 61.43 1mrc n THR 116 Cb 0.53 -1.34 -0.16 0.00 -1.82 0.00 0.00 70.33 67.54 1mrc n THR 116 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1mrc s THR 117 N -0.11 -0.11 0.49 12.58 -1.32 -0.11 -4.96 115.64 122.10 1mrc s THR 117 Ca 0.69 0.30 -0.22 0.00 -1.21 0.00 0.00 61.69 61.24 1mrc s THR 117 Cb -0.69 -0.18 -0.07 0.00 -1.51 0.00 0.00 72.50 70.05 1mrc s THR 117 CO 0.50 0.12 1.21 -2.16 -2.21 0.00 0.00 174.62 172.09 1mrc s PRO 118 N 1.66 3.56 0.55 7.08 0.04 -1.26 -1.29 135.00 145.33 1mrc s PRO 118 Ca -0.03 1.89 -0.17 0.00 0.04 0.00 0.00 61.00 62.73 1mrc s PRO 118 Cb -0.12 -2.34 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 1mrc s PRO 118 CO -0.04 -0.75 1.04 -1.25 0.04 0.00 0.00 177.00 176.04 1mrc s PRO 119 N -2.79 3.55 -0.16 0.56 0.04 -1.26 -4.47 135.00 130.47 1mrc s PRO 119 Ca 0.66 1.23 -0.04 0.00 0.04 0.00 0.00 61.00 62.89 1mrc s PRO 119 Cb -0.31 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1mrc s PRO 119 CO 0.38 -0.62 -0.04 -1.12 0.04 0.00 0.00 177.00 175.64 1mrc s SER 120 N -2.55 4.78 -0.21 6.66 0.01 -0.27 -4.94 113.70 117.18 1mrc s SER 120 Ca 0.64 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.74 1mrc s SER 120 Cb -0.15 -1.78 -0.00 0.00 0.21 0.00 0.00 66.02 64.29 1mrc s SER 120 CO 0.30 0.16 -0.09 -0.69 0.41 0.00 0.00 173.24 173.34 1mrc s VAL 121 N 0.43 3.03 -0.04 3.43 1.01 -1.26 -0.99 120.40 126.00 1mrc s VAL 121 Ca -0.04 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1mrc s VAL 121 Cb -0.14 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1mrc s VAL 121 CO 0.03 0.46 -0.21 -0.31 0.00 0.00 0.00 175.10 175.07 1mrc s TYR 122 N 1.37 2.51 0.31 5.22 2.02 -0.09 -4.93 117.35 123.76 1mrc s TYR 122 Ca 0.05 -0.39 -0.24 0.00 -0.37 0.00 0.00 57.07 56.12 1mrc s TYR 122 Cb -0.14 -1.58 -0.10 0.00 -0.40 0.00 0.00 41.96 39.74 1mrc s TYR 122 CO -0.05 0.01 0.88 -1.25 -1.57 0.00 0.00 175.55 173.57 1mrc s PRO 123 N -0.54 4.45 -0.34 -1.71 0.04 -1.26 0.41 135.00 136.05 1mrc s PRO 123 Ca 0.07 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1mrc s PRO 123 Cb -0.11 -2.75 0.10 0.00 0.04 0.00 0.00 34.50 31.78 1mrc s PRO 123 CO 0.01 0.28 0.08 -0.51 0.04 0.00 0.00 177.00 176.89 1mrc s LEU 124 N -2.17 3.88 0.12 -3.56 1.43 0.33 -4.87 118.68 113.84 1mrc s LEU 124 Ca 0.50 -2.03 0.05 0.00 -1.03 0.00 0.00 54.13 51.62 1mrc s LEU 124 Cb -0.17 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1mrc s LEU 124 CO 0.22 -0.38 0.02 0.00 0.23 0.00 0.00 176.35 176.44 1mrc s ALA 125 N 1.08 3.33 0.00 4.21 0.00 -1.26 -1.97 121.76 127.15 1mrc s ALA 125 Ca 0.11 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1mrc s ALA 125 Cb -0.19 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1mrc s ALA 125 CO -0.13 0.63 0.00 -0.35 0.00 0.00 0.00 175.76 175.90 1mrc n PRO 126 N 0.27 0.00 0.00 0.00 -0.04 -1.26 -5.07 135.00 128.89 1mrc n PRO 126 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1mrc n PRO 126 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1mrc n PRO 126 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1mrc n THR 133 N 0.00 0.00 -4.30 0.52 5.66 -1.26 -5.01 114.28 109.89 1mrc n THR 133 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 1mrc n THR 133 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 1mrc n THR 133 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1mrc s THR 134 N -4.00 3.31 0.00 1.09 -4.23 -1.26 -5.11 115.64 105.44 1mrc s THR 134 Ca 0.00 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1mrc s THR 134 Cb 0.00 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1mrc s THR 134 CO 0.00 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1mrc n GLY 135 N -0.51 0.58 0.10 3.99 0.00 -1.26 -4.91 105.19 103.17 1mrc n GLY 135 Ca -0.08 -1.66 0.11 0.00 0.00 0.00 0.00 46.02 44.39 1mrc n GLY 135 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mrc n SER 136 N 0.00 0.91 -3.48 1.61 7.64 -1.26 -4.72 113.62 114.31 1mrc n SER 136 Ca 0.00 -0.73 -0.11 0.00 1.01 0.00 0.00 58.87 59.04 1mrc n SER 136 Cb 0.00 0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 1mrc n SER 136 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1mrc s SER 137 N -2.85 -0.51 -0.01 6.43 1.04 -1.26 -3.03 113.70 113.51 1mrc s SER 137 Ca 0.13 -0.09 0.05 0.00 0.48 0.00 0.00 55.95 56.52 1mrc s SER 137 Cb 0.17 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.88 1mrc s SER 137 CO 0.70 -1.00 -0.16 0.54 0.98 0.00 0.00 173.24 174.30 1mrc s VAL 138 N -3.77 1.29 -0.21 5.02 0.11 0.87 -4.64 120.40 119.07 1mrc s VAL 138 Ca 0.02 -0.71 -0.07 0.00 -2.93 0.00 0.00 61.98 58.28 1mrc s VAL 138 Cb -0.01 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1mrc s VAL 138 CO -0.11 0.35 0.07 -0.89 -3.33 0.00 0.00 175.10 171.20 1mrc s THR 139 N -0.40 4.63 0.40 5.04 2.01 -1.26 -0.92 115.64 125.14 1mrc s THR 139 Ca 0.06 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1mrc s THR 139 Cb -0.06 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 1mrc s THR 139 CO -0.01 0.41 0.04 -0.76 -0.69 0.00 0.00 174.62 173.61 1mrc s LEU 140 N 0.88 2.41 0.14 4.42 1.43 0.88 -4.64 118.68 124.19 1mrc s LEU 140 Ca 0.04 -1.47 -0.24 0.00 -1.03 0.00 0.00 54.13 51.43 1mrc s LEU 140 Cb -0.14 -0.58 0.08 0.00 0.03 0.00 0.00 46.19 45.58 1mrc s LEU 140 CO 0.03 -0.65 1.08 -0.83 0.23 0.00 0.00 176.35 176.21 1mrc s GLY 141 N -3.65 -0.02 0.07 -3.19 0.00 -0.83 -0.72 107.32 98.98 1mrc s GLY 141 Ca 0.28 -0.13 0.04 0.00 0.00 0.00 0.00 44.72 44.92 1mrc s GLY 141 CO 0.14 2.28 -0.13 0.00 0.00 0.00 0.00 173.10 175.39 1mrc s LEU 143 N -1.83 2.89 -0.37 0.00 2.96 0.16 -2.49 118.68 120.00 1mrc s LEU 143 Ca -0.02 -0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 53.05 1mrc s LEU 143 Cb -0.09 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 44.99 1mrc s LEU 143 CO 0.02 -0.08 0.20 -0.69 -1.32 0.00 0.00 176.35 174.48 1mrc s VAL 144 N 1.34 4.56 0.11 1.68 1.01 0.14 -0.91 120.40 128.33 1mrc s VAL 144 Ca 0.02 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1mrc s VAL 144 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1mrc s VAL 144 CO -0.06 -0.21 -0.09 -1.59 0.00 0.00 0.00 175.10 173.15 1mrc s LYS 145 N 1.56 0.87 0.00 2.72 -2.85 -0.16 -0.49 119.74 121.39 1mrc s LYS 145 Ca 0.02 -1.26 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 1mrc s LYS 145 Cb -0.19 -0.44 0.00 0.00 -2.06 0.00 0.00 37.83 35.14 1mrc s LYS 145 CO 0.07 0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.97 1mrc n GLY 146 N 0.25 0.64 3.92 0.59 0.00 -0.08 -1.12 105.19 109.39 1mrc n GLY 146 Ca -0.14 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1mrc n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mrc s TYR 147 N -2.00 3.50 -0.26 1.61 1.13 -0.99 -4.61 117.35 115.72 1mrc s TYR 147 Ca 0.00 0.55 -0.19 0.00 -1.41 0.00 0.00 57.07 56.02 1mrc s TYR 147 Cb 0.00 -2.06 0.07 0.00 -1.10 0.00 0.00 41.96 38.88 1mrc s TYR 147 CO 0.00 0.06 0.67 0.12 -2.51 0.00 0.00 175.55 173.90 1mrc s PHE 148 N -2.31 -0.90 0.35 -3.49 5.36 -0.41 -0.17 117.98 116.41 1mrc s PHE 148 Ca 0.43 1.96 -0.04 0.00 -0.96 0.00 0.00 56.93 58.32 1mrc s PHE 148 Cb -0.10 0.45 0.08 0.00 -0.34 0.00 0.00 43.02 43.10 1mrc s PHE 148 CO 0.35 -0.45 0.47 -0.35 -1.46 0.00 0.00 175.22 173.79 1mrc n PRO 149 N 3.61 -0.14 0.00 10.12 -0.04 -1.26 -0.93 135.00 146.36 1mrc n PRO 149 Ca -0.18 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1mrc n PRO 149 Cb 0.57 -0.42 0.00 0.00 -0.04 0.00 0.00 33.50 33.61 1mrc n PRO 149 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mrc n GLU 150 N -1.95 -1.32 -1.70 0.54 4.71 -1.26 -4.83 120.64 114.84 1mrc n GLU 150 Ca 0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.21 1mrc n GLU 150 Cb 0.23 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.66 1mrc n GLU 150 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1mrc n SER 151 N -2.37 -2.62 -3.77 1.62 7.64 -1.26 -4.94 113.62 107.92 1mrc n SER 151 Ca 0.00 0.24 -0.13 0.00 1.01 0.00 0.00 58.87 59.99 1mrc n SER 151 Cb 0.00 -1.72 -0.10 0.00 -1.01 0.00 0.00 64.21 61.38 1mrc n SER 151 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mrc s VAL 152 N -0.22 0.03 -0.06 0.44 1.01 -1.26 -4.38 120.40 115.97 1mrc s VAL 152 Ca -0.01 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1mrc s VAL 152 Cb 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.85 1mrc s VAL 152 CO 0.13 -0.16 -0.14 -0.89 0.00 0.00 0.00 175.10 174.04 1mrc s THR 153 N -0.68 1.26 -0.15 3.92 2.01 -0.79 -4.95 115.64 116.26 1mrc s THR 153 Ca -0.08 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1mrc s THR 153 Cb -0.04 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.35 1mrc s THR 153 CO 0.02 0.38 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.46 1mrc s VAL 154 N 0.38 2.39 0.30 3.82 1.01 -1.25 -1.12 120.40 125.93 1mrc s VAL 154 Ca -0.10 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1mrc s VAL 154 Cb -0.14 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.20 1mrc s VAL 154 CO 0.03 0.53 -0.11 0.42 0.00 0.00 0.00 175.10 175.98 1mrc s THR 156 N 0.80 2.05 -0.19 3.92 -4.23 0.35 -4.93 115.64 113.41 1mrc s THR 156 Ca -0.06 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.23 1mrc s THR 156 Cb -0.15 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.26 1mrc s THR 156 CO -0.01 -0.30 -0.09 0.26 -0.54 0.00 0.00 174.62 173.94 1mrc s TRP 157 N -2.75 2.21 -0.85 3.99 0.52 -1.26 -0.00 118.94 120.80 1mrc s TRP 157 Ca 0.30 -1.43 -0.01 0.00 0.02 0.00 0.00 56.10 54.98 1mrc s TRP 157 Cb 0.01 -1.55 -0.01 0.00 -1.15 0.00 0.00 33.47 30.77 1mrc s TRP 157 CO 0.14 -0.71 0.71 0.09 0.02 0.00 0.00 176.95 177.21 1mrc n ASN 162 N 4.74 -2.64 -1.27 2.95 4.13 -0.83 -1.11 115.26 121.24 1mrc n ASN 162 Ca -0.14 -0.46 -0.17 0.00 1.68 0.00 0.00 54.58 55.49 1mrc n ASN 162 Cb 0.47 -3.86 -0.07 0.00 -1.54 0.00 0.00 39.78 34.78 1mrc n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1mrc n SER 163 N -2.58 -5.61 0.00 6.41 7.64 -1.26 -1.46 113.62 116.76 1mrc n SER 163 Ca -0.18 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1mrc n SER 163 Cb 0.62 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.25 1mrc n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mrc n GLY 164 N -0.12 0.80 0.12 0.23 0.00 -0.93 -4.96 105.19 100.31 1mrc n GLY 164 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1mrc n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mrc h SER 165 N 0.00 0.00 -3.29 1.61 4.64 -0.74 -3.40 113.55 112.36 1mrc h SER 165 Ca 0.00 -0.01 -0.74 0.00 -0.47 0.00 0.00 61.79 60.57 1mrc h SER 165 Cb 0.00 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 61.83 1mrc h SER 165 CO 0.00 0.01 -0.35 -0.76 -0.87 0.00 0.00 176.83 174.85 1mrc s LEU 166 N -4.74 5.65 0.00 5.97 1.43 -0.26 -4.86 118.68 121.86 1mrc s LEU 166 Ca 0.10 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.61 1mrc s LEU 166 Cb 0.11 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1mrc s LEU 166 CO 0.61 -0.68 0.00 -1.54 0.23 0.00 0.00 176.35 174.98 1mrc n SER 167 N 5.09 4.13 -0.32 2.29 3.41 -1.26 -4.35 113.62 122.60 1mrc n SER 167 Ca -0.11 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.66 1mrc n SER 167 Cb 0.42 0.62 0.36 0.00 -0.26 0.00 0.00 64.21 65.36 1mrc n SER 167 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1mrc h SER 168 N 0.00 0.43 -0.34 4.04 4.64 -1.97 -3.07 113.55 117.27 1mrc h SER 168 Ca 0.00 0.16 -0.26 0.00 -0.47 0.00 0.00 61.79 61.23 1mrc h SER 168 Cb 0.41 0.12 -0.24 0.00 -0.31 0.00 0.00 62.40 62.38 1mrc h SER 168 CO 0.00 -0.02 -0.73 -1.54 -0.87 0.00 0.00 176.83 173.67 1mrc n SER 169 N -5.03 2.94 -4.58 4.97 3.41 -1.26 -5.05 113.62 109.03 1mrc n SER 169 Ca 0.25 -3.53 -0.40 0.00 -0.26 0.00 0.00 58.87 54.94 1mrc n SER 169 Cb 0.76 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 64.19 1mrc n SER 169 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mrc s VAL 171 N -3.56 5.17 -0.28 -3.33 1.01 -1.16 -3.05 120.40 115.19 1mrc s VAL 171 Ca 0.42 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.65 1mrc s VAL 171 Cb 0.38 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 1mrc s VAL 171 CO -0.03 0.03 0.07 -1.00 0.00 0.00 0.00 175.10 174.16 1mrc s HIS 172 N 2.06 3.12 -0.21 5.22 3.76 -0.40 -4.95 115.29 123.88 1mrc s HIS 172 Ca 0.13 -0.87 -0.09 0.00 -0.15 0.00 0.00 55.06 54.08 1mrc s HIS 172 Cb -0.16 -2.24 -0.05 0.00 1.11 0.00 0.00 32.58 31.25 1mrc s HIS 172 CO 0.11 -0.53 0.12 0.99 -0.85 0.00 0.00 174.74 174.58 1mrc s THR 173 N 1.52 5.19 -0.17 1.30 2.01 -1.26 -0.72 115.64 123.51 1mrc s THR 173 Ca 0.04 0.12 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 1mrc s THR 173 Cb -0.16 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 1mrc s THR 173 CO 0.02 0.41 0.14 -0.36 -0.69 0.00 0.00 174.62 174.14 1mrc s PHE 174 N 0.67 3.47 0.48 4.92 0.08 -0.59 -5.02 117.98 122.00 1mrc s PHE 174 Ca 0.07 0.40 -0.21 0.00 0.12 0.00 0.00 56.93 57.31 1mrc s PHE 174 Cb -0.12 -2.10 -0.11 0.00 -0.57 0.00 0.00 43.02 40.12 1mrc s PHE 174 CO 0.01 0.42 0.61 -2.30 -0.10 0.00 0.00 175.22 173.86 1mrc n PRO 175 N 3.05 0.66 -2.52 0.24 -0.02 -1.26 -4.19 135.00 130.96 1mrc n PRO 175 Ca -0.17 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.13 1mrc n PRO 175 Cb 0.53 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 1mrc n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mrc s ALA 176 N -1.55 3.49 0.12 3.55 0.00 -1.26 -4.78 121.76 121.33 1mrc s ALA 176 Ca 0.66 0.54 0.02 0.00 0.00 0.00 0.00 51.96 53.17 1mrc s ALA 176 Cb -0.53 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 1mrc s ALA 176 CO 0.56 -0.75 0.23 -0.51 0.00 0.00 0.00 175.76 175.29 1mrc s LEU 177 N 2.26 4.23 -0.70 0.00 1.43 -0.58 -4.87 118.68 120.45 1mrc s LEU 177 Ca 0.53 0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 53.61 1mrc s LEU 177 Cb -0.23 -2.82 0.15 0.00 0.03 0.00 0.00 46.19 43.32 1mrc s LEU 177 CO 0.20 0.10 0.73 -0.22 0.23 0.00 0.00 176.35 177.39 1mrc s LEU 178 N -2.94 6.01 -0.34 1.79 2.96 -1.26 -1.60 118.68 123.30 1mrc s LEU 178 Ca 0.34 -2.03 -0.10 0.00 -0.22 0.00 0.00 54.13 52.12 1mrc s LEU 178 Cb -0.12 -2.26 0.01 0.00 0.50 0.00 0.00 46.19 44.32 1mrc s LEU 178 CO 0.27 -0.86 0.18 -1.58 -1.32 0.00 0.00 176.35 173.04 1mrc s GLN 179 N 1.57 3.15 -1.35 1.98 0.74 -0.01 -4.62 119.66 121.12 1mrc s GLN 179 Ca 0.14 -0.85 -0.04 0.00 0.05 0.00 0.00 55.36 54.66 1mrc s GLN 179 Cb -0.18 -3.64 0.02 0.00 1.10 0.00 0.00 33.01 30.31 1mrc s GLN 179 CO -0.02 -0.53 0.87 0.43 -0.55 0.00 0.00 175.29 175.50 1mrc n SER 180 N 5.00 -2.74 0.00 6.67 7.64 -1.26 -2.53 113.62 126.40 1mrc n SER 180 Ca -0.13 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1mrc n SER 180 Cb 0.48 -4.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 1mrc n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mrc n GLY 183 N -1.57 0.65 2.99 0.23 0.00 -1.26 -5.00 105.19 101.23 1mrc n GLY 183 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1mrc n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mrc s LEU 184 N 0.00 2.07 0.62 0.99 1.43 -1.05 -4.95 118.68 117.79 1mrc s LEU 184 Ca 0.00 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1mrc s LEU 184 Cb 0.00 0.20 -0.04 0.00 0.03 0.00 0.00 46.19 46.38 1mrc s LEU 184 CO 0.00 -0.27 1.03 -0.31 0.23 0.00 0.00 176.35 177.02 1mrc s TYR 185 N -1.26 3.51 -0.02 0.29 2.02 0.77 -0.83 117.35 121.83 1mrc s TYR 185 Ca -0.14 1.34 -0.12 0.00 -0.37 0.00 0.00 57.07 57.78 1mrc s TYR 185 Cb -0.08 -2.76 0.02 0.00 -0.40 0.00 0.00 41.96 38.73 1mrc s TYR 185 CO -0.00 -0.74 0.26 0.99 -1.57 0.00 0.00 175.55 174.48 1mrc s THR 186 N -3.07 0.06 -0.04 -0.71 2.01 -0.63 -0.91 115.64 112.35 1mrc s THR 186 Ca 0.56 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 1mrc s THR 186 Cb -0.11 -0.53 0.11 0.00 0.01 0.00 0.00 72.50 71.97 1mrc s THR 186 CO 0.51 -0.26 0.92 0.00 -0.69 0.00 0.00 174.62 175.09 1mrc s MET 187 N -1.14 0.76 0.13 4.92 0.23 0.36 -1.53 119.30 123.04 1mrc s MET 187 Ca -0.12 -0.20 0.04 0.00 -1.03 0.00 0.00 55.69 54.38 1mrc s MET 187 Cb -0.05 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 1mrc s MET 187 CO 0.03 -0.32 -0.09 -1.12 -2.03 0.00 0.00 175.02 171.49 1mrc s SER 188 N -2.19 1.61 0.04 -1.18 0.01 -1.26 0.24 113.70 110.96 1mrc s SER 188 Ca 0.04 -1.01 0.03 0.00 1.31 0.00 0.00 55.95 56.32 1mrc s SER 188 Cb -0.01 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 1mrc s SER 188 CO -0.06 -0.37 -0.09 -0.55 0.41 0.00 0.00 173.24 172.58 1mrc s SER 189 N -3.12 0.98 0.13 2.44 0.15 -1.04 -1.54 113.70 111.70 1mrc s SER 189 Ca 0.15 -0.46 0.06 0.00 0.70 0.00 0.00 55.95 56.41 1mrc s SER 189 Cb 0.03 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1mrc s SER 189 CO -0.01 -0.11 -0.15 -0.94 1.20 0.00 0.00 173.24 173.23 1mrc s SER 190 N -1.26 2.08 -0.05 5.45 1.04 0.11 -1.72 113.70 119.34 1mrc s SER 190 Ca -0.06 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 55.51 1mrc s SER 190 Cb -0.08 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 65.97 1mrc s SER 190 CO 0.01 -0.13 0.14 0.54 0.98 0.00 0.00 173.24 174.78 1mrc s VAL 191 N -2.13 0.01 -0.20 5.02 0.11 0.10 -1.28 120.40 122.03 1mrc s VAL 191 Ca 0.10 -0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1mrc s VAL 191 Cb -0.05 -0.22 0.03 0.00 -1.53 0.00 0.00 36.38 34.60 1mrc s VAL 191 CO 0.03 -0.03 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.72 1mrc s THR 192 N -0.04 2.26 0.39 5.04 2.01 -1.17 -0.09 115.64 124.04 1mrc s THR 192 Ca -0.01 -1.03 0.08 0.00 0.31 0.00 0.00 61.69 61.03 1mrc s THR 192 Cb -0.02 -2.04 -0.06 0.00 0.01 0.00 0.00 72.50 70.40 1mrc s THR 192 CO 0.00 0.40 0.11 0.68 -0.69 0.00 0.00 174.62 175.13 1mrc s VAL 193 N 1.28 2.38 0.59 3.82 -7.23 -0.10 -4.74 120.40 116.40 1mrc s VAL 193 Ca 0.02 -1.81 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 1mrc s VAL 193 Cb -0.15 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 1mrc s VAL 193 CO -0.10 -0.06 1.11 -2.16 -0.31 0.00 0.00 175.10 173.58 1mrc s PRO 194 N -3.83 3.17 0.16 4.82 0.04 -1.26 -0.09 135.00 138.01 1mrc s PRO 194 Ca 0.38 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 1mrc s PRO 194 Cb 0.03 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.61 1mrc s PRO 194 CO 0.21 -0.97 1.81 0.77 0.04 0.00 0.00 177.00 178.87 1mrc h SER 195 N 0.69 0.45 0.04 6.66 0.02 -1.80 -2.72 113.55 116.88 1mrc h SER 195 Ca -0.48 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1mrc h SER 195 Cb 1.25 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1mrc h SER 195 CO 0.56 0.32 0.00 -1.54 -1.14 0.00 0.00 176.83 175.03 1mrc n SER 196 N -4.82 0.27 -0.26 3.07 3.41 -1.26 -1.93 113.62 112.10 1mrc n SER 196 Ca 0.01 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 1mrc n SER 196 Cb 0.04 -0.66 0.01 0.00 -0.26 0.00 0.00 64.21 63.34 1mrc n SER 196 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1mrc n THR 198 N -1.86 0.00 -4.01 6.66 -2.24 -1.03 -4.56 114.28 107.25 1mrc n THR 198 Ca -0.00 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.48 1mrc n THR 198 Cb 0.03 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.11 1mrc n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1mrc s TRP 199 N -2.71 0.34 -1.81 4.78 -0.00 -0.81 0.25 118.94 118.99 1mrc s TRP 199 Ca 0.15 -0.04 0.01 0.00 -0.00 0.00 0.00 56.10 56.21 1mrc s TRP 199 Cb 0.17 -0.33 0.02 0.00 -0.00 0.00 0.00 33.47 33.34 1mrc s TRP 199 CO 0.68 -0.08 0.93 -0.35 -0.00 0.00 0.00 176.95 178.13 1mrc n PRO 200 N 3.61 1.07 -0.33 5.86 -0.04 -1.26 -4.85 135.00 139.05 1mrc n PRO 200 Ca -0.20 -0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.30 1mrc n PRO 200 Cb 0.54 -1.11 0.32 0.00 -0.04 0.00 0.00 33.50 33.20 1mrc n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1mrc h SER 202 N 0.14 0.60 -4.43 3.54 0.02 -1.79 -3.38 113.55 108.24 1mrc h SER 202 Ca 0.00 0.12 -0.64 0.00 -0.84 0.00 0.00 61.79 60.43 1mrc h SER 202 Cb 0.13 0.03 -0.30 0.00 0.14 0.00 0.00 62.40 62.40 1mrc h SER 202 CO 0.00 0.15 -0.87 -1.10 -1.14 0.00 0.00 176.83 173.87 1mrc s GLN 203 N -5.86 1.91 0.17 3.45 -0.21 0.14 -5.08 119.66 114.19 1mrc s GLN 203 Ca -0.11 -0.82 -0.17 0.00 0.02 0.00 0.00 55.36 54.28 1mrc s GLN 203 Cb 0.25 -1.81 -0.07 0.00 1.00 0.00 0.00 33.01 32.37 1mrc s GLN 203 CO 0.79 0.47 0.62 0.95 -2.12 0.00 0.00 175.29 176.00 1mrc s THR 204 N -0.48 4.73 0.14 -0.19 -4.23 -1.26 -4.41 115.64 109.94 1mrc s THR 204 Ca 0.07 1.03 0.07 0.00 -1.18 0.00 0.00 61.69 61.68 1mrc s THR 204 Cb -0.09 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 1mrc s THR 204 CO -0.00 0.25 -0.03 0.68 -0.54 0.00 0.00 174.62 174.97 1mrc s VAL 205 N -1.47 3.67 -0.02 2.29 -7.23 -1.26 -5.00 120.40 111.38 1mrc s VAL 205 Ca 0.39 -1.30 -0.02 0.00 -1.81 0.00 0.00 61.98 59.24 1mrc s VAL 205 Cb -0.16 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 33.99 1mrc s VAL 205 CO 0.20 -0.00 0.06 0.28 -0.31 0.00 0.00 175.10 175.33 1mrc s THR 206 N -1.50 0.01 -0.09 5.32 -1.32 -1.26 -1.22 115.64 115.57 1mrc s THR 206 Ca 0.25 -0.05 -0.04 0.00 -1.21 0.00 0.00 61.69 60.64 1mrc s THR 206 Cb -0.10 -0.11 -0.04 0.00 -1.51 0.00 0.00 72.50 70.74 1mrc s THR 206 CO 0.17 -0.03 0.08 0.00 -2.21 0.00 0.00 174.62 172.64 1mrc s SER 209 N -1.06 4.46 -0.14 0.00 0.01 0.99 -1.38 113.70 116.58 1mrc s SER 209 Ca 0.15 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.15 1mrc s SER 209 Cb -0.12 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1mrc s SER 209 CO 0.05 0.07 -0.19 -0.69 0.41 0.00 0.00 173.24 172.89 1mrc s VAL 210 N 0.93 2.36 -0.20 3.43 1.01 -0.22 -0.50 120.40 127.21 1mrc s VAL 210 Ca -0.00 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1mrc s VAL 210 Cb -0.15 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1mrc s VAL 210 CO 0.01 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.48 1mrc s ALA 211 N 0.67 2.38 -0.31 5.51 0.00 -0.27 -1.33 121.76 128.41 1mrc s ALA 211 Ca -0.09 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 1mrc s ALA 211 Cb -0.16 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.69 1mrc s ALA 211 CO 0.02 -0.61 0.06 -1.58 0.00 0.00 0.00 175.76 173.65 1mrc s HIS 212 N 1.24 3.20 0.11 0.00 2.46 -0.26 -1.88 115.29 120.16 1mrc s HIS 212 Ca 0.01 -1.37 0.00 0.00 0.47 0.00 0.00 55.06 54.18 1mrc s HIS 212 Cb -0.15 -2.22 -0.18 0.00 -0.13 0.00 0.00 32.58 29.90 1mrc s HIS 212 CO -0.11 -0.69 1.25 -1.35 -2.47 0.00 0.00 174.74 171.37 1mrc h PRO 213 N 8.17 0.19 -0.34 2.88 0.11 -1.77 0.12 132.00 141.35 1mrc h PRO 213 Ca -0.27 -0.28 0.07 0.00 0.11 0.00 0.00 66.00 65.64 1mrc h PRO 213 Cb 1.10 0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1mrc h PRO 213 CO 0.59 1.09 -0.26 0.00 -0.21 0.00 0.00 178.00 179.21 1mrc h ALA 214 N 0.80 -0.08 -2.67 -0.75 0.00 -1.92 -3.25 119.26 111.39 1mrc h ALA 214 Ca -0.08 0.11 -0.61 0.00 0.00 0.00 0.00 54.91 54.33 1mrc h ALA 214 Cb 1.78 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 20.08 1mrc h ALA 214 CO 0.16 -0.65 -0.24 -1.54 0.00 0.00 0.00 179.25 176.98 1mrc s SER 215 N -5.07 6.73 -1.36 0.00 1.04 -1.26 -4.97 113.70 108.82 1mrc s SER 215 Ca -0.15 0.88 -0.14 0.00 0.48 0.00 0.00 55.95 57.02 1mrc s SER 215 Cb 0.13 -2.22 0.09 0.00 0.10 0.00 0.00 66.02 64.12 1mrc s SER 215 CO 0.69 0.31 1.94 -1.20 0.98 0.00 0.00 173.24 175.96 1mrc n SER 216 N 1.70 4.54 -4.66 7.02 7.64 -1.23 -4.60 113.62 124.04 1mrc n SER 216 Ca -0.14 -2.93 -0.33 0.00 1.01 0.00 0.00 58.87 56.48 1mrc n SER 216 Cb 0.53 -1.64 -0.09 0.00 -1.01 0.00 0.00 64.21 61.99 1mrc n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1mrc s THR 217 N 2.78 4.09 -0.20 0.44 2.01 0.41 -5.02 115.64 120.15 1mrc s THR 217 Ca 0.47 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.93 1mrc s THR 217 Cb 0.09 -2.77 0.10 0.00 0.01 0.00 0.00 72.50 69.93 1mrc s THR 217 CO -0.02 0.47 0.35 -0.89 -0.69 0.00 0.00 174.62 173.85 1mrc s THR 218 N -0.98 -0.55 -0.02 -0.82 2.01 -1.26 -1.10 115.64 112.91 1mrc s THR 218 Ca 0.17 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1mrc s THR 218 Cb -0.11 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.72 1mrc s THR 218 CO 0.07 -0.01 -0.09 0.68 -0.69 0.00 0.00 174.62 174.57 1mrc s VAL 219 N 2.52 0.74 0.21 3.82 -7.23 -0.44 -5.01 120.40 115.01 1mrc s VAL 219 Ca 0.05 -0.35 0.07 0.00 -1.81 0.00 0.00 61.98 59.94 1mrc s VAL 219 Cb -0.14 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 1mrc s VAL 219 CO -0.13 0.23 0.07 -1.81 -0.31 0.00 0.00 175.10 173.14 1mrc s ASP 220 N 0.08 5.03 -0.07 4.85 1.01 -1.26 -1.06 116.67 125.25 1mrc s ASP 220 Ca -0.01 -0.37 -0.03 0.00 0.71 0.00 0.00 52.55 52.85 1mrc s ASP 220 Cb -0.07 -1.14 0.04 0.00 1.01 0.00 0.00 42.92 42.76 1mrc s ASP 220 CO 0.00 0.04 0.08 -0.75 0.21 0.00 0.00 175.17 174.75 1mrc s LYS 221 N -3.33 -0.03 0.19 8.23 2.47 -0.48 -4.98 119.74 121.81 1mrc s LYS 221 Ca 0.30 0.33 -0.30 0.00 -1.56 0.00 0.00 55.97 54.74 1mrc s LYS 221 Cb -0.08 -0.72 -0.08 0.00 -1.46 0.00 0.00 37.83 35.49 1mrc s LYS 221 CO 0.21 -0.39 0.95 0.21 0.16 0.00 0.00 175.35 176.49 1mrc s LYS 222 N 2.19 4.79 -0.72 4.03 2.20 -1.26 -1.51 119.74 129.46 1mrc s LYS 222 Ca 0.04 1.49 -0.17 0.00 -0.36 0.00 0.00 55.97 56.97 1mrc s LYS 222 Cb -0.13 -3.31 0.15 0.00 -1.51 0.00 0.00 37.83 33.03 1mrc s LYS 222 CO -0.05 0.39 0.77 -0.51 -0.36 0.00 0.00 175.35 175.59 1mrc s LEU 223 N -0.73 5.90 0.21 5.43 1.43 -0.36 -4.97 118.68 125.60 1mrc s LEU 223 Ca 0.43 -2.00 0.06 0.00 -1.03 0.00 0.00 54.13 51.59 1mrc s LEU 223 Cb -0.25 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1mrc s LEU 223 CO 0.31 -0.89 0.18 -1.83 0.23 0.00 0.00 176.35 174.35 1mrc s GLU 226 N 1.70 2.96 0.00 1.70 -1.05 -1.26 -4.47 118.70 118.28 1mrc s GLU 226 Ca 0.16 -0.94 0.20 0.00 -0.15 0.00 0.00 54.97 54.23 1mrc s GLU 226 Cb -0.17 -2.63 1.17 0.00 -0.44 0.00 0.00 34.13 32.05 1mrc s GLU 226 CO -0.02 0.44 1.56 -2.30 0.95 0.00 0.00 175.26 175.89