#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ml4 s ALA 4 N 0.00 3.41 -0.01 4.31 0.00 -1.26 -5.10 121.76 123.11 3ml4 s ALA 4 Ca 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.80 3ml4 s ALA 4 Cb 0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 3ml4 s ALA 4 CO 0.00 0.15 -0.22 0.00 0.00 0.00 0.00 175.76 175.69 3ml4 s ALA 5 N -2.19 1.85 0.09 0.00 0.00 -1.26 -4.73 121.76 115.51 3ml4 s ALA 5 Ca 0.50 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 51.36 3ml4 s ALA 5 Cb -0.10 -0.46 -0.20 0.00 0.00 0.00 0.00 23.12 22.36 3ml4 s ALA 5 CO 0.27 0.45 1.25 1.37 0.00 0.00 0.00 175.76 179.10 3ml4 h LEU 6 N 5.53 0.94 -7.84 0.00 8.10 -1.52 -3.46 115.31 117.05 3ml4 h LEU 6 Ca -0.41 -0.68 -0.15 0.00 0.11 0.00 0.00 57.88 56.75 3ml4 h LEU 6 Cb 1.13 -0.28 -0.20 0.00 -0.44 0.00 0.00 40.66 40.87 3ml4 h LEU 6 CO 0.47 1.49 -0.56 0.68 -4.11 0.00 0.00 178.44 176.41 3ml4 s VAL 7 N -3.53 0.10 0.07 0.15 -7.23 -1.09 -5.05 120.40 103.82 3ml4 s VAL 7 Ca -0.10 -0.84 -0.18 0.00 -1.81 0.00 0.00 61.98 59.05 3ml4 s VAL 7 Cb 0.08 -0.48 0.04 0.00 0.56 0.00 0.00 36.38 36.58 3ml4 s VAL 7 CO 0.92 -0.46 0.43 -1.83 -0.31 0.00 0.00 175.10 173.85 3ml4 s GLU 8 N -1.65 0.99 0.00 4.82 -1.05 -1.26 -1.26 118.70 119.29 3ml4 s GLU 8 Ca -0.13 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 3ml4 s GLU 8 Cb -0.07 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 3ml4 s GLU 8 CO -0.00 -0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.26 3ml4 n GLY 9 N 0.25 -0.86 3.63 -3.83 0.00 -0.99 -5.01 105.19 98.39 3ml4 n GLY 9 Ca -0.18 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 3ml4 n GLY 9 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ml4 s GLN 10 N -2.00 3.86 -0.01 1.61 2.00 -1.26 -1.28 119.66 122.58 3ml4 s GLN 10 Ca 0.00 1.67 0.03 0.00 -2.00 0.00 0.00 55.36 55.06 3ml4 s GLN 10 Cb 0.00 -4.00 -0.01 0.00 0.80 0.00 0.00 33.01 29.80 3ml4 s GLN 10 CO 0.00 -1.21 -0.09 0.08 -0.50 0.00 0.00 175.29 173.57 3ml4 s VAL 11 N 4.93 0.74 0.01 1.34 1.01 -0.75 -4.86 120.40 122.81 3ml4 s VAL 11 Ca 0.69 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 3ml4 s VAL 11 Cb -0.25 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3ml4 s VAL 11 CO 0.28 0.20 0.77 -0.54 0.00 0.00 0.00 175.10 175.81 3ml4 s LYS 12 N -0.25 4.49 0.48 2.72 1.02 0.11 -1.48 119.74 126.83 3ml4 s LYS 12 Ca 0.03 1.05 0.04 0.00 0.02 0.00 0.00 55.97 57.11 3ml4 s LYS 12 Cb -0.04 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.85 3ml4 s LYS 12 CO -0.00 0.18 0.07 -0.51 -0.92 0.00 0.00 175.35 174.17 3ml4 s LEU 13 N 0.33 2.55 -0.07 3.17 1.43 0.92 -0.25 118.68 126.75 3ml4 s LEU 13 Ca 0.40 -1.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.04 3ml4 s LEU 13 Cb -0.20 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.13 3ml4 s LEU 13 CO 0.22 -0.77 -0.16 -0.13 0.23 0.00 0.00 176.35 175.74 3ml4 s ARG 14 N -3.90 2.04 0.00 1.70 0.52 -1.26 -0.57 118.95 117.48 3ml4 s ARG 14 Ca 0.19 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 3ml4 s ARG 14 Cb 0.03 -1.65 0.00 0.00 0.52 0.00 0.00 34.95 33.86 3ml4 s ARG 14 CO 0.10 0.11 0.00 -0.40 0.02 0.00 0.00 175.30 175.13 3ml4 n ASP 15 N 3.60 0.00 -3.59 0.23 5.68 -1.20 -5.03 116.55 116.23 3ml4 n ASP 15 Ca -0.21 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 53.79 3ml4 n ASP 15 Cb 0.52 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.35 3ml4 n ASP 15 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3ml4 s GLY 16 N -1.17 0.62 -1.39 6.12 0.00 -1.26 -4.87 107.32 105.38 3ml4 s GLY 16 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3ml4 s GLY 16 CO 0.00 1.93 0.00 0.58 0.00 0.00 0.00 173.10 175.61 3ml4 n LYS 17 N 5.15 -1.63 -3.99 2.90 2.85 -1.26 -4.95 118.16 117.23 3ml4 n LYS 17 Ca -0.05 0.94 -0.09 0.00 -1.05 0.00 0.00 58.31 58.06 3ml4 n LYS 17 Cb 0.43 -5.33 -0.10 0.00 -0.65 0.00 0.00 35.03 29.38 3ml4 n LYS 17 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3ml4 s LYS 18 N -3.08 0.51 -0.04 -1.58 0.00 -1.26 -5.15 119.74 109.14 3ml4 s LYS 18 Ca 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 55.97 55.06 3ml4 s LYS 18 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 37.83 37.97 3ml4 s LYS 18 CO 0.00 -0.10 0.22 -1.58 0.00 0.00 0.00 175.35 173.89 3ml4 s TRP 19 N -2.64 3.59 -0.08 1.78 0.52 -1.26 -3.24 118.94 117.61 3ml4 s TRP 19 Ca -0.05 0.55 0.00 0.00 0.02 0.00 0.00 56.10 56.62 3ml4 s TRP 19 Cb -0.01 -1.96 0.02 0.00 -1.15 0.00 0.00 33.47 30.37 3ml4 s TRP 19 CO -0.05 0.66 -0.06 0.15 0.02 0.00 0.00 176.95 177.67 3ml4 s LYS 20 N -1.52 1.20 0.09 4.98 -0.14 0.27 -4.93 119.74 119.68 3ml4 s LYS 20 Ca 0.23 -0.17 -0.30 0.00 -1.36 0.00 0.00 55.97 54.37 3ml4 s LYS 20 Cb -0.13 -1.26 -0.06 0.00 -1.68 0.00 0.00 37.83 34.70 3ml4 s LYS 20 CO 0.13 -0.19 1.13 0.45 -0.76 0.00 0.00 175.35 176.11 3ml4 s SER 21 N 1.42 7.19 -0.18 2.83 0.15 -1.26 -0.06 113.70 123.79 3ml4 s SER 21 Ca -0.02 1.98 -0.25 0.00 0.70 0.00 0.00 55.95 58.36 3ml4 s SER 21 Cb -0.13 -2.59 0.06 0.00 -1.71 0.00 0.00 66.02 61.66 3ml4 s SER 21 CO -0.04 -0.35 0.66 -0.13 1.20 0.00 0.00 173.24 174.58 3ml4 s ARG 22 N 0.58 0.86 -0.22 5.44 0.52 -0.55 -4.96 118.95 120.61 3ml4 s ARG 22 Ca 0.54 0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 56.16 3ml4 s ARG 22 Cb -0.28 0.41 -0.02 0.00 0.52 0.00 0.00 34.95 35.58 3ml4 s ARG 22 CO 0.31 -0.16 1.59 -0.46 0.02 0.00 0.00 175.30 176.59 3ml4 s TRP 23 N -0.16 2.15 -0.11 -0.53 -0.11 -1.15 -1.82 118.94 117.21 3ml4 s TRP 23 Ca -0.04 0.57 -0.04 0.00 1.22 0.00 0.00 56.10 57.81 3ml4 s TRP 23 Cb -0.03 -3.97 -0.03 0.00 -1.50 0.00 0.00 33.47 27.93 3ml4 s TRP 23 CO 0.04 -2.85 0.03 -1.17 -4.62 0.00 0.00 176.95 168.38 3ml4 s LEU 24 N 5.12 3.72 -0.17 5.86 2.96 -0.41 -1.21 118.68 134.56 3ml4 s LEU 24 Ca 0.70 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3ml4 s LEU 24 Cb -0.24 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3ml4 s LEU 24 CO 0.29 0.34 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.86 3ml4 s VAL 25 N -0.62 3.08 -0.18 1.68 1.01 0.54 -2.34 120.40 123.58 3ml4 s VAL 25 Ca 0.11 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 3ml4 s VAL 25 Cb -0.12 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3ml4 s VAL 25 CO 0.02 0.49 -0.04 -0.76 0.00 0.00 0.00 175.10 174.81 3ml4 s LEU 26 N 0.86 3.04 0.06 3.92 1.43 -0.39 -0.08 118.68 127.52 3ml4 s LEU 26 Ca -0.03 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 3ml4 s LEU 26 Cb -0.15 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3ml4 s LEU 26 CO 0.00 0.08 0.14 0.00 0.23 0.00 0.00 176.35 176.80 3ml4 s ARG 27 N 0.90 0.70 0.25 1.70 1.70 -0.97 -1.14 118.95 122.09 3ml4 s ARG 27 Ca -0.01 -0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 3ml4 s ARG 27 Cb -0.15 0.28 -0.09 0.00 -0.57 0.00 0.00 34.95 34.42 3ml4 s ARG 27 CO 0.01 -0.20 1.21 0.15 -1.08 0.00 0.00 175.30 175.40 3ml4 s LYS 28 N -3.16 4.49 0.32 3.89 1.02 -1.26 -0.01 119.74 125.03 3ml4 s LYS 28 Ca -0.00 1.96 0.05 0.00 0.02 0.00 0.00 55.97 58.00 3ml4 s LYS 28 Cb 0.02 -3.18 0.56 0.00 -0.52 0.00 0.00 37.83 34.71 3ml4 s LYS 28 CO -0.07 -0.05 1.81 -1.35 -0.92 0.00 0.00 175.35 174.77 3ml4 h PRO 29 N 4.47 0.40 -3.32 -1.68 0.11 -1.89 -3.45 132.00 126.64 3ml4 h PRO 29 Ca -0.46 -0.12 -0.13 0.00 0.11 0.00 0.00 66.00 65.40 3ml4 h PRO 29 Cb 1.22 -0.04 -0.20 0.00 0.11 0.00 0.00 31.00 32.08 3ml4 h PRO 29 CO 0.71 0.57 -0.40 -1.54 -0.21 0.00 0.00 178.00 177.12 3ml4 s SER 30 N -6.82 -0.06 0.50 -2.05 1.04 -1.26 -5.07 113.70 99.98 3ml4 s SER 30 Ca -0.06 -0.10 0.34 0.00 0.48 0.00 0.00 55.95 56.61 3ml4 s SER 30 Cb 0.15 0.25 1.66 0.00 0.10 0.00 0.00 66.02 68.17 3ml4 s SER 30 CO 0.77 -0.40 2.02 1.55 0.98 0.00 0.00 173.24 178.15 3ml4 h PRO 31 N 4.10 0.00 -2.08 4.02 0.13 -2.00 -3.25 132.00 132.91 3ml4 h PRO 31 Ca -0.30 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.30 3ml4 h PRO 31 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 3ml4 h PRO 31 CO 0.40 0.00 -1.02 0.28 -0.23 0.00 0.00 178.00 177.43 3ml4 n VAL 32 N -2.79 0.70 -3.77 1.56 0.31 -1.26 -5.08 118.33 108.01 3ml4 n VAL 32 Ca -0.01 -4.80 -0.12 0.00 -0.01 0.00 0.00 64.34 59.40 3ml4 n VAL 32 Cb 0.15 -0.83 -0.08 0.00 -0.91 0.00 0.00 33.84 32.17 3ml4 n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ml4 s ALA 33 N -2.55 -0.70 -0.14 3.52 0.00 -1.23 -5.05 121.76 115.61 3ml4 s ALA 33 Ca 0.42 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3ml4 s ALA 33 Cb 0.30 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.62 3ml4 s ALA 33 CO -0.09 -0.33 0.48 -3.47 0.00 0.00 0.00 175.76 172.34 3ml4 n ASP 34 N 0.93 1.40 -4.28 0.00 2.03 -1.26 -4.85 116.55 110.51 3ml4 n ASP 34 Ca -0.20 -1.03 -0.18 0.00 0.52 0.00 0.00 54.79 53.90 3ml4 n ASP 34 Cb 0.58 -0.26 -0.11 0.00 -0.72 0.00 0.00 41.12 40.61 3ml4 n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ml4 s LEU 36 N -2.86 2.19 0.00 0.00 1.43 -0.73 -4.41 118.68 114.30 3ml4 s LEU 36 Ca 0.15 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3ml4 s LEU 36 Cb -0.02 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.78 3ml4 s LEU 36 CO 0.04 -0.05 0.00 -0.11 0.23 0.00 0.00 176.35 176.46 3ml4 n LEU 37 N 1.80 0.00 -3.15 1.79 7.94 0.99 -0.73 117.00 125.64 3ml4 n LEU 37 Ca -0.19 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.76 3ml4 n LEU 37 Cb 0.55 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.48 3ml4 n LEU 37 CO 0.22 -0.08 0.80 -0.76 -1.11 0.00 0.00 177.39 176.47 3ml4 s LEU 39 N 0.00 -0.03 -0.32 -1.96 1.43 0.88 -2.29 118.68 116.39 3ml4 s LEU 39 Ca 0.00 0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 3ml4 s LEU 39 Cb 0.00 1.03 -0.02 0.00 0.03 0.00 0.00 46.19 47.23 3ml4 s LEU 39 CO 0.00 -0.01 0.40 -0.69 0.23 0.00 0.00 176.35 176.28 3ml4 s VAL 40 N 2.89 5.13 0.39 -1.59 1.01 -0.83 -0.34 120.40 127.06 3ml4 s VAL 40 Ca -0.10 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.25 3ml4 s VAL 40 Cb -0.07 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3ml4 s VAL 40 CO -0.07 -0.04 0.18 -0.31 0.00 0.00 0.00 175.10 174.86 3ml4 s TYR 41 N 2.12 2.65 0.00 5.22 1.51 -0.35 -0.58 117.35 127.92 3ml4 s TYR 41 Ca 0.14 -0.50 -0.21 0.00 -1.01 0.00 0.00 57.07 55.49 3ml4 s TYR 41 Cb -0.16 -1.86 -0.19 0.00 -0.11 0.00 0.00 41.96 39.64 3ml4 s TYR 41 CO 0.11 0.21 1.19 1.57 -1.11 0.00 0.00 175.55 177.53 3ml4 h LYS 42 N 1.44 0.32 -2.59 -0.62 -0.00 -1.95 -3.04 116.57 110.13 3ml4 h LYS 42 Ca -0.43 -0.25 0.12 0.00 -0.00 0.00 0.00 60.65 60.09 3ml4 h LYS 42 Cb 1.25 0.05 -0.08 0.00 -0.00 0.00 0.00 32.23 33.45 3ml4 h LYS 42 CO 0.66 0.89 0.38 0.16 -0.00 0.00 0.00 179.45 181.55 3ml4 s ASP 43 N -6.35 -0.26 0.66 7.07 1.47 -1.26 -3.93 116.67 114.07 3ml4 s ASP 43 Ca -0.14 -0.37 0.32 0.00 1.18 0.00 0.00 52.55 53.53 3ml4 s ASP 43 Cb 0.03 0.56 1.74 0.00 -0.34 0.00 0.00 42.92 44.91 3ml4 s ASP 43 CO 0.77 -1.00 1.99 0.50 0.68 0.00 0.00 175.17 178.11 3ml4 h LYS 44 N 2.00 0.00 -0.07 2.11 3.64 -1.94 -1.19 116.57 121.12 3ml4 h LYS 44 Ca -0.23 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.07 3ml4 h LYS 44 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3ml4 h LYS 44 CO 0.27 0.00 -0.25 0.00 -2.27 0.00 0.00 179.45 177.19 3ml4 h GLU 46 N -0.19 0.38 0.02 0.00 9.09 -1.66 -2.71 114.58 119.50 3ml4 h GLU 46 Ca -0.01 -0.09 -0.00 0.00 0.05 0.00 0.00 59.36 59.31 3ml4 h GLU 46 Cb 0.89 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 3ml4 h GLU 46 CO 0.05 0.49 -0.01 -0.09 0.05 0.00 0.00 179.01 179.50 3ml4 h ARG 47 N 0.36 -0.02 -0.73 1.06 9.65 -1.19 -2.97 114.38 120.54 3ml4 h ARG 47 Ca 0.07 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 3ml4 h ARG 47 Cb 0.40 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 3ml4 h ARG 47 CO 0.02 0.44 0.36 0.77 2.80 0.00 0.00 179.97 184.36 3ml4 h SER 48 N -0.49 0.93 0.57 -3.80 0.02 -0.52 -2.88 113.55 107.39 3ml4 h SER 48 Ca -0.00 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3ml4 h SER 48 Cb 0.47 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 3ml4 h SER 48 CO 0.00 0.78 -0.35 0.11 -1.14 0.00 0.00 176.83 176.23 3ml4 h LYS 49 N 1.03 -0.85 0.00 3.45 6.56 -1.55 -3.48 116.57 121.73 3ml4 h LYS 49 Ca 0.25 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 3ml4 h LYS 49 Cb 0.09 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 3ml4 h LYS 49 CO -0.03 -0.57 0.00 0.41 -2.06 0.00 0.00 179.45 177.20 3ml4 n GLY 50 N -1.49 1.78 3.75 3.86 0.00 -1.09 -5.13 105.19 106.87 3ml4 n GLY 50 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3ml4 n GLY 50 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ml4 s LEU 51 N 0.00 1.91 0.46 0.99 0.05 -1.21 -5.00 118.68 115.88 3ml4 s LEU 51 Ca 0.00 1.06 -0.23 0.00 0.05 0.00 0.00 54.13 55.01 3ml4 s LEU 51 Cb 0.00 -3.36 -0.07 0.00 -2.05 0.00 0.00 46.19 40.71 3ml4 s LEU 51 CO 0.00 -2.71 1.22 -0.60 -0.55 0.00 0.00 176.35 173.71 3ml4 s ARG 52 N -5.17 3.70 0.27 1.48 3.52 -1.26 -4.90 118.95 116.59 3ml4 s ARG 52 Ca 0.64 1.92 -0.29 0.00 -0.13 0.00 0.00 55.73 57.87 3ml4 s ARG 52 Cb -0.16 -2.45 -0.09 0.00 -1.56 0.00 0.00 34.95 30.68 3ml4 s ARG 52 CO 0.55 -0.64 1.14 -1.83 -0.81 0.00 0.00 175.30 173.70 3ml4 s GLU 53 N -2.64 4.58 0.18 5.12 1.03 -1.26 -4.97 118.70 120.75 3ml4 s GLU 53 Ca 0.64 1.86 -0.14 0.00 0.03 0.00 0.00 54.97 57.35 3ml4 s GLU 53 Cb -0.32 -3.18 0.17 0.00 -0.80 0.00 0.00 34.13 30.00 3ml4 s GLU 53 CO 0.39 0.12 1.67 0.07 -1.33 0.00 0.00 175.26 176.18 3ml4 h ARG 54 N 4.01 0.07 -3.82 -4.83 -0.00 -1.20 -3.45 114.38 105.15 3ml4 h ARG 54 Ca -0.47 -0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.37 3ml4 h ARG 54 Cb 1.21 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.97 31.08 3ml4 h ARG 54 CO 0.68 0.05 -0.15 -1.54 -0.00 0.00 0.00 179.97 179.01 3ml4 s SER 55 N -5.24 0.26 0.04 0.08 1.04 -1.22 -5.05 113.70 103.60 3ml4 s SER 55 Ca -0.14 -1.16 -0.23 0.00 0.48 0.00 0.00 55.95 54.90 3ml4 s SER 55 Cb 0.16 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.95 3ml4 s SER 55 CO 0.72 -1.21 0.54 -0.94 0.98 0.00 0.00 173.24 173.33 3ml4 s SER 56 N -3.10 -0.47 -0.09 7.02 1.04 -1.26 -1.97 113.70 114.87 3ml4 s SER 56 Ca 0.26 0.23 -0.13 0.00 0.48 0.00 0.00 55.95 56.79 3ml4 s SER 56 Cb -0.00 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.64 3ml4 s SER 56 CO 0.13 -0.71 0.32 -0.22 0.98 0.00 0.00 173.24 173.74 3ml4 s LEU 57 N -1.90 0.78 -0.08 2.42 2.96 -1.26 -5.06 118.68 116.54 3ml4 s LEU 57 Ca -0.06 0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.30 3ml4 s LEU 57 Cb -0.01 1.18 -0.03 0.00 0.50 0.00 0.00 46.19 47.83 3ml4 s LEU 57 CO -0.01 -0.23 0.02 -0.89 -1.32 0.00 0.00 176.35 173.93 3ml4 s THR 58 N -0.35 4.48 -0.25 3.68 2.01 -1.26 -4.46 115.64 119.49 3ml4 s THR 58 Ca -0.05 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 3ml4 s THR 58 Cb -0.03 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.59 3ml4 s THR 58 CO 0.02 0.57 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.71 3ml4 s LEU 59 N -1.01 3.20 -0.18 4.42 1.43 0.09 -5.00 118.68 121.63 3ml4 s LEU 59 Ca 0.15 -0.84 0.14 0.00 -1.03 0.00 0.00 54.13 52.54 3ml4 s LEU 59 Cb -0.11 -1.68 0.43 0.00 0.03 0.00 0.00 46.19 44.86 3ml4 s LEU 59 CO 0.04 -0.13 1.20 -1.84 0.23 0.00 0.00 176.35 175.86 3ml4 n GLU 60 N 4.68 1.54 -2.50 1.70 0.28 -1.26 -1.78 120.64 123.30 3ml4 n GLU 60 Ca -0.16 -3.17 -0.02 0.00 -0.16 0.00 0.00 57.16 53.64 3ml4 n GLU 60 Cb 0.47 -1.39 0.10 0.00 1.43 0.00 0.00 31.44 32.05 3ml4 n GLU 60 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3ml4 n ASP 61 N -0.74 -1.04 -4.72 -1.84 5.75 -1.26 -4.93 116.55 107.76 3ml4 n ASP 61 Ca 0.19 -2.17 -0.42 0.00 -0.01 0.00 0.00 54.79 52.38 3ml4 n ASP 61 Cb 0.82 0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 41.38 3ml4 n ASP 61 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3ml4 s ILE 62 N -0.33 2.34 -0.16 2.12 1.01 -1.25 0.00 121.20 124.94 3ml4 s ILE 62 Ca 0.10 0.25 0.13 0.00 0.00 0.00 0.00 60.65 61.13 3ml4 s ILE 62 Cb 0.39 -3.16 -0.19 0.00 0.01 0.00 0.00 42.46 39.51 3ml4 s ILE 62 CO -0.11 0.02 0.03 0.00 0.00 0.00 0.00 174.94 174.89 3ml4 n GLY 64 N 2.08 -0.25 3.22 0.00 0.00 -1.14 -4.10 105.19 105.01 3ml4 n GLY 64 Ca -0.26 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 3ml4 n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ml4 s LEU 65 N 0.00 2.14 -0.23 0.99 1.02 -1.26 -0.95 118.68 120.38 3ml4 s LEU 65 Ca 0.00 -0.47 -0.03 0.00 0.02 0.00 0.00 54.13 53.65 3ml4 s LEU 65 Cb 0.00 -0.90 0.10 0.00 0.02 0.00 0.00 46.19 45.41 3ml4 s LEU 65 CO 0.00 0.15 0.20 -0.70 0.02 0.00 0.00 176.35 176.03 3ml4 s GLU 66 N -1.01 0.20 0.74 1.70 2.56 -0.66 -4.89 118.70 117.35 3ml4 s GLU 66 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.97 54.92 3ml4 s GLU 66 Cb -0.08 -1.16 0.10 0.00 2.00 0.00 0.00 34.13 34.98 3ml4 s GLU 66 CO 0.01 -0.81 1.05 -1.25 -0.56 0.00 0.00 175.26 173.70 3ml4 s PRO 67 N 2.27 1.83 -1.19 4.30 0.04 -1.26 -0.52 135.00 140.46 3ml4 s PRO 67 Ca 0.07 -0.51 -0.07 0.00 0.04 0.00 0.00 61.00 60.53 3ml4 s PRO 67 Cb -0.15 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.22 3ml4 s PRO 67 CO -0.21 -1.46 1.03 0.00 0.04 0.00 0.00 177.00 176.41 3ml4 n ALA 68 N -3.01 -1.27 -2.99 8.56 0.00 0.40 -4.91 120.51 117.29 3ml4 n ALA 68 Ca 0.11 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.50 3ml4 n ALA 68 Cb 0.60 -4.53 -0.12 0.00 0.00 0.00 0.00 19.45 15.40 3ml4 n ALA 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ml4 s LEU 69 N -6.51 3.42 -0.15 0.00 1.43 -1.22 -4.90 118.68 110.74 3ml4 s LEU 69 Ca 0.44 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 3ml4 s LEU 69 Cb -0.19 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3ml4 s LEU 69 CO 0.65 0.10 1.77 -2.84 0.23 0.00 0.00 176.35 176.26 3ml4 s PRO 70 N 0.80 3.81 -0.06 1.29 0.02 -1.26 -3.98 135.00 135.62 3ml4 s PRO 70 Ca 0.01 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 62.95 3ml4 s PRO 70 Cb -0.14 -4.10 0.04 0.00 0.02 0.00 0.00 34.50 30.32 3ml4 s PRO 70 CO 0.02 -1.30 0.13 -0.47 -0.33 0.00 0.00 177.00 175.06 3ml4 s TYR 71 N 5.38 -0.14 -1.41 6.54 5.04 -0.19 -4.95 117.35 127.63 3ml4 s TYR 71 Ca 0.79 0.46 -0.08 0.00 -2.44 0.00 0.00 57.07 55.81 3ml4 s TYR 71 Cb -0.30 -0.16 0.01 0.00 0.35 0.00 0.00 41.96 41.86 3ml4 s TYR 71 CO 0.32 -0.18 0.33 0.39 -1.34 0.00 0.00 175.55 175.07 3ml4 n GLU 72 N 4.49 -1.68 0.00 4.97 -0.58 -1.26 -1.40 120.64 125.18 3ml4 n GLU 72 Ca -0.21 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3ml4 n GLU 72 Cb 0.51 -3.79 0.00 0.00 -0.57 0.00 0.00 31.44 27.59 3ml4 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ml4 n GLY 73 N -2.21 1.91 3.54 0.62 0.00 -1.26 -4.98 105.19 102.81 3ml4 n GLY 73 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3ml4 n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ml4 s LEU 74 N 0.00 3.52 0.05 0.99 1.02 -0.49 -4.98 118.68 118.78 3ml4 s LEU 74 Ca 0.00 -0.06 0.07 0.00 0.02 0.00 0.00 54.13 54.17 3ml4 s LEU 74 Cb 0.00 -1.88 -0.23 0.00 0.02 0.00 0.00 46.19 44.10 3ml4 s LEU 74 CO 0.00 0.13 1.01 0.00 0.02 0.00 0.00 176.35 177.52 3ml4 h ALA 75 N 6.98 0.48 -2.78 4.21 0.00 -1.85 -0.49 119.26 125.81 3ml4 h ALA 75 Ca -0.35 -1.13 -0.73 0.00 0.00 0.00 0.00 54.91 52.71 3ml4 h ALA 75 Cb 1.18 0.12 -0.34 0.00 0.00 0.00 0.00 17.79 18.75 3ml4 h ALA 75 CO 0.65 1.35 0.04 -1.01 0.00 0.00 0.00 179.25 180.28 3ml4 s HIS 76 N -2.66 4.00 0.08 0.00 3.76 -1.26 -3.88 115.29 115.33 3ml4 s HIS 76 Ca -0.02 -2.96 0.09 0.00 -0.15 0.00 0.00 55.06 52.02 3ml4 s HIS 76 Cb 0.09 -3.38 -0.04 0.00 1.11 0.00 0.00 32.58 30.36 3ml4 s HIS 76 CO 0.83 -0.79 -0.22 0.95 -0.85 0.00 0.00 174.74 174.66 3ml4 s THR 77 N -1.35 2.53 -0.14 1.30 -4.23 -1.26 -0.88 115.64 111.61 3ml4 s THR 77 Ca 0.28 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3ml4 s THR 77 Cb -0.08 -2.09 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 3ml4 s THR 77 CO -0.12 0.22 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.85 3ml4 s LEU 78 N -1.74 2.81 -0.28 4.79 2.96 0.04 -0.45 118.68 126.81 3ml4 s LEU 78 Ca 0.15 -0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 53.62 3ml4 s LEU 78 Cb -0.10 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3ml4 s LEU 78 CO 0.06 0.15 0.33 0.00 -1.32 0.00 0.00 176.35 175.57 3ml4 s ALA 79 N 0.43 3.55 -0.41 5.97 0.00 0.32 -0.33 121.76 131.29 3ml4 s ALA 79 Ca -0.09 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 3ml4 s ALA 79 Cb -0.15 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.31 3ml4 s ALA 79 CO 0.04 -0.69 0.46 0.42 0.00 0.00 0.00 175.76 175.99 3ml4 s ILE 80 N 1.99 5.06 -0.20 0.00 1.01 -0.11 -1.66 121.20 127.29 3ml4 s ILE 80 Ca 0.13 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 3ml4 s ILE 80 Cb -0.16 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3ml4 s ILE 80 CO 0.10 -0.39 0.31 -0.63 0.00 0.00 0.00 174.94 174.33 3ml4 s ILE 81 N 2.22 5.27 0.22 2.92 1.01 -0.12 -1.52 121.20 131.19 3ml4 s ILE 81 Ca 0.14 0.52 0.11 0.00 0.00 0.00 0.00 60.65 61.42 3ml4 s ILE 81 Cb -0.17 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 3ml4 s ILE 81 CO 0.14 0.31 -0.21 0.00 0.00 0.00 0.00 174.94 175.17 3ml4 h LEU 83 N 2.87 0.00 0.00 0.00 3.38 -0.75 -3.11 115.31 117.69 3ml4 h LEU 83 Ca -0.43 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.27 3ml4 h LEU 83 Cb 1.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 3ml4 h LEU 83 CO 0.53 0.00 -2.03 -1.54 0.09 0.00 0.00 178.44 175.49 3ml4 n SER 84 N -3.52 2.37 -2.68 -0.43 3.41 -1.26 -4.95 113.62 106.56 3ml4 n SER 84 Ca 0.01 -0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.44 3ml4 n SER 84 Cb 0.35 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3ml4 n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ml4 n GLN 85 N -2.94 0.86 -4.41 4.33 0.00 -1.18 -5.08 117.38 108.97 3ml4 n GLN 85 Ca -0.31 -2.21 -0.19 0.00 0.00 0.00 0.00 57.00 54.30 3ml4 n GLN 85 Cb 0.87 2.46 -0.15 0.00 0.00 0.00 0.00 30.24 33.43 3ml4 n GLN 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ml4 s ALA 86 N -2.24 0.86 0.00 2.61 0.00 -1.26 -1.09 121.76 120.64 3ml4 s ALA 86 Ca 0.19 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3ml4 s ALA 86 Cb -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3ml4 s ALA 86 CO 0.14 0.20 0.00 0.28 0.00 0.00 0.00 175.76 176.38 3ml4 n VAL 87 N 2.70 0.00 -3.37 0.00 0.31 -0.58 -4.97 118.33 112.42 3ml4 n VAL 87 Ca -0.14 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.21 3ml4 n VAL 87 Cb 0.56 -0.41 -0.03 0.00 -0.91 0.00 0.00 33.84 33.05 3ml4 n VAL 87 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ml4 s LEU 89 N 0.00 -0.71 -0.17 7.52 1.43 0.55 -0.94 118.68 126.36 3ml4 s LEU 89 Ca 0.00 0.82 -0.18 0.00 -1.03 0.00 0.00 54.13 53.73 3ml4 s LEU 89 Cb 0.00 1.75 -0.04 0.00 0.03 0.00 0.00 46.19 47.93 3ml4 s LEU 89 CO 0.00 -0.13 0.51 -0.83 0.23 0.00 0.00 176.35 176.12 3ml4 s GLY 90 N 2.63 2.18 0.36 -3.19 0.00 0.65 -0.78 107.32 109.17 3ml4 s GLY 90 Ca -0.00 -0.33 0.09 0.00 0.00 0.00 0.00 44.72 44.48 3ml4 s GLY 90 CO -0.17 0.98 -0.03 -1.36 0.00 0.00 0.00 173.10 172.52 3ml4 s PHE 91 N 1.29 2.48 -0.15 1.90 0.40 -0.06 0.08 117.98 123.92 3ml4 s PHE 91 Ca 0.25 -0.52 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 3ml4 s PHE 91 Cb -0.15 -1.53 -0.07 0.00 0.51 0.00 0.00 43.02 41.78 3ml4 s PHE 91 CO 0.10 0.50 -0.02 -0.44 0.70 0.00 0.00 175.22 176.07 3ml4 h ASP 92 N 1.88 0.00 -2.41 1.36 3.32 -1.89 -3.41 116.42 115.26 3ml4 h ASP 92 Ca -0.43 -0.16 -0.49 0.00 0.02 0.00 0.00 57.03 55.97 3ml4 h ASP 92 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3ml4 h ASP 92 CO 0.72 0.88 -0.42 -0.94 -1.72 0.00 0.00 179.24 177.76 3ml4 s SER 93 N -5.97 6.33 0.33 6.45 1.04 -1.26 -4.86 113.70 115.76 3ml4 s SER 93 Ca -0.16 0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.51 3ml4 s SER 93 Cb 0.02 -1.90 0.57 0.00 0.10 0.00 0.00 66.02 64.81 3ml4 s SER 93 CO 0.29 -0.04 1.79 -0.74 0.98 0.00 0.00 173.24 175.51 3ml4 h HIS 94 N 1.53 0.30 -0.47 5.02 2.76 -1.96 -3.12 115.15 119.21 3ml4 h HIS 94 Ca -0.50 -0.06 -0.13 0.00 -2.20 0.00 0.00 60.37 57.48 3ml4 h HIS 94 Cb 1.21 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 3ml4 h HIS 94 CO 0.49 0.53 -0.21 1.05 -1.30 0.00 0.00 177.93 178.49 3ml4 h GLU 95 N 0.24 0.96 -0.71 5.26 4.11 -2.02 -1.73 114.58 120.69 3ml4 h GLU 95 Ca 0.04 -0.40 0.00 0.00 0.07 0.00 0.00 59.36 59.07 3ml4 h GLU 95 Cb 0.62 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3ml4 h GLU 95 CO 0.04 1.06 0.00 0.00 0.07 0.00 0.00 179.01 180.19 3ml4 n ALA 96 N -2.51 1.53 0.00 1.06 0.00 -1.18 -0.39 120.51 119.02 3ml4 n ALA 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ml4 n ALA 96 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3ml4 n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ml4 h ALA 99 N 0.00 1.15 0.16 0.00 0.00 -0.98 -1.61 119.26 117.99 3ml4 h ALA 99 Ca 0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.44 3ml4 h ALA 99 Cb 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.60 3ml4 h ALA 99 CO 0.00 0.57 -1.06 -1.49 0.00 0.00 0.00 179.25 177.26 3ml4 h TRP 100 N 0.82 0.75 -0.35 0.00 4.06 -1.67 -3.08 115.95 116.49 3ml4 h TRP 100 Ca 0.17 -0.53 0.03 0.00 2.06 0.00 0.00 58.89 60.63 3ml4 h TRP 100 Cb 0.35 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.43 3ml4 h TRP 100 CO 0.02 1.40 0.14 0.22 -3.56 0.00 0.00 178.44 176.66 3ml4 h ASP 101 N -0.10 0.17 -0.24 -3.49 3.58 -1.83 -0.92 116.42 113.58 3ml4 h ASP 101 Ca -0.18 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.30 3ml4 h ASP 101 Cb 1.82 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.86 3ml4 h ASP 101 CO 0.20 0.14 0.15 0.74 -2.88 0.00 0.00 179.24 177.59 3ml4 h THR 102 N 0.30 1.07 -0.12 2.25 2.02 -1.40 -1.40 112.91 115.63 3ml4 h THR 102 Ca 0.15 -0.16 -0.23 0.00 0.77 0.00 0.00 66.41 66.95 3ml4 h THR 102 Cb 0.11 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3ml4 h THR 102 CO -0.14 0.07 -0.81 -0.09 0.37 0.00 0.00 175.52 174.92 3ml4 h ARG 103 N 0.31 0.75 -0.41 6.66 9.65 -1.48 -3.13 114.38 126.73 3ml4 h ARG 103 Ca 0.09 -0.65 -0.09 0.00 -1.10 0.00 0.00 59.98 58.22 3ml4 h ARG 103 Cb -0.02 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3ml4 h ARG 103 CO -0.02 1.26 -0.09 0.82 2.80 0.00 0.00 179.97 184.74 3ml4 h ILE 104 N 0.47 1.27 -0.21 1.20 2.04 -1.14 -1.83 117.51 119.30 3ml4 h ILE 104 Ca -0.07 -1.17 0.05 0.00 1.00 0.00 0.00 64.86 64.67 3ml4 h ILE 104 Cb 1.45 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 38.65 3ml4 h ILE 104 CO 0.16 0.40 -0.15 0.03 0.00 0.00 0.00 178.15 178.59 3ml4 h ARG 105 N 0.61 -0.14 -0.47 2.37 3.08 -1.30 0.67 114.38 119.19 3ml4 h ARG 105 Ca 0.11 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3ml4 h ARG 105 Cb 0.61 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3ml4 h ARG 105 CO 0.04 -0.10 0.14 -0.92 -1.07 0.00 0.00 179.97 178.06 3ml4 h TYR 106 N -0.15 0.76 -0.27 3.04 3.20 -1.56 -2.80 116.97 119.19 3ml4 h TYR 106 Ca 0.12 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.95 3ml4 h TYR 106 Cb 0.33 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3ml4 h TYR 106 CO -0.31 0.68 0.07 0.00 -1.64 0.00 0.00 178.16 176.96 3ml4 h ALA 107 N 1.00 0.29 0.00 1.82 0.00 -0.87 -2.10 119.26 119.40 3ml4 h ALA 107 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ml4 h ALA 107 Cb 0.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ml4 h ALA 107 CO -0.00 -0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.19 3ml4 n LEU 108 N -5.06 0.00 0.00 0.00 4.77 0.19 -4.97 117.00 111.92 3ml4 n LEU 108 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3ml4 n LEU 108 Cb 0.11 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3ml4 n LEU 108 CO 0.28 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3ml4 n GLY 109 N 0.41 0.72 3.22 -0.72 0.00 -0.79 -4.79 105.19 103.24 3ml4 n GLY 109 Ca 0.14 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3ml4 n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ml4 s GLU 110 N 0.00 3.11 -0.23 1.61 0.41 -1.26 -4.45 118.70 117.88 3ml4 s GLU 110 Ca 0.00 -2.47 0.02 0.00 -0.41 0.00 0.00 54.97 52.11 3ml4 s GLU 110 Cb 0.00 -4.10 0.05 0.00 -1.78 0.00 0.00 34.13 28.30 3ml4 s GLU 110 CO 0.00 -1.24 -0.11 0.14 -0.49 0.00 0.00 175.26 173.56 3ml4 s VAL 111 N 0.10 1.96 0.10 2.63 -7.23 -1.25 -0.79 120.40 115.92 3ml4 s VAL 111 Ca 0.17 -1.37 0.08 0.00 -1.81 0.00 0.00 61.98 59.06 3ml4 s VAL 111 Cb -0.15 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 3ml4 s VAL 111 CO -0.06 0.07 -0.22 -1.00 -0.31 0.00 0.00 175.10 173.58 3ml4 s HIS 112 N 1.22 1.87 0.09 2.82 3.76 -0.23 -4.92 115.29 119.89 3ml4 s HIS 112 Ca -0.05 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.51 3ml4 s HIS 112 Cb -0.18 -1.03 -0.03 0.00 1.11 0.00 0.00 32.58 32.44 3ml4 s HIS 112 CO -0.07 0.21 -0.14 -0.98 -0.85 0.00 0.00 174.74 172.90 3ml4 s ARG 113 N -1.82 0.89 -0.16 1.40 1.70 -1.26 -1.13 118.95 118.58 3ml4 s ARG 113 Ca 0.08 -1.05 -0.05 0.00 -0.47 0.00 0.00 55.73 54.24 3ml4 s ARG 113 Cb -0.10 -0.88 0.08 0.00 -0.57 0.00 0.00 34.95 33.48 3ml4 s ARG 113 CO 0.04 0.19 0.28 -0.06 -1.08 0.00 0.00 175.30 174.67 3ml4 s PHE 114 N -1.53 -0.47 -0.12 5.89 0.08 -0.59 -4.99 117.98 116.24 3ml4 s PHE 114 Ca 0.02 0.88 -0.29 0.00 0.12 0.00 0.00 56.93 57.65 3ml4 s PHE 114 Cb -0.08 -0.06 -0.03 0.00 -0.57 0.00 0.00 43.02 42.28 3ml4 s PHE 114 CO 0.02 -0.45 1.46 -1.01 -0.10 0.00 0.00 175.22 175.15 3ml4 s HIS 115 N 2.44 2.41 0.40 0.36 3.76 -1.26 -0.90 115.29 122.48 3ml4 s HIS 115 Ca 0.03 0.60 0.04 0.00 -0.15 0.00 0.00 55.06 55.58 3ml4 s HIS 115 Cb -0.13 -3.72 -0.03 0.00 1.11 0.00 0.00 32.58 29.81 3ml4 s HIS 115 CO -0.10 -2.77 0.11 0.14 -0.85 0.00 0.00 174.74 171.27 3ml4 s VAL 116 N 3.81 0.73 -0.23 -0.90 -7.23 0.15 -4.83 120.40 111.91 3ml4 s VAL 116 Ca 0.64 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 3ml4 s VAL 116 Cb -0.27 -2.42 0.06 0.00 0.56 0.00 0.00 36.38 34.30 3ml4 s VAL 116 CO 0.22 0.00 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.04 3ml4 s THR 117 N -3.22 1.72 -0.04 5.32 2.01 -0.54 -1.33 115.64 119.56 3ml4 s THR 117 Ca 0.25 -1.28 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 3ml4 s THR 117 Cb 0.04 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 3ml4 s THR 117 CO 0.14 -0.02 1.39 -0.69 -0.69 0.00 0.00 174.62 174.75 3ml4 s VAL 118 N 1.32 3.86 0.27 3.82 1.01 0.75 -1.33 120.40 130.09 3ml4 s VAL 118 Ca -0.06 1.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.80 3ml4 s VAL 118 Cb -0.19 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 3ml4 s VAL 118 CO -0.06 -0.03 1.16 0.00 0.00 0.00 0.00 175.10 176.16 3ml4 s ALA 119 N 2.81 3.43 0.82 5.51 0.00 -0.83 -1.49 121.76 132.02 3ml4 s ALA 119 Ca 0.63 0.98 -0.13 0.00 0.00 0.00 0.00 51.96 53.44 3ml4 s ALA 119 Cb -0.29 -3.37 0.09 0.00 0.00 0.00 0.00 23.12 19.54 3ml4 s ALA 119 CO 0.24 -0.29 1.16 -0.35 0.00 0.00 0.00 175.76 176.52 3ml4 n PRO 120 N 1.33 0.10 0.00 0.00 -0.04 -1.26 -4.51 135.00 130.62 3ml4 n PRO 120 Ca 0.00 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3ml4 n PRO 120 Cb 0.44 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 3ml4 n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ml4 n GLY 121 N 0.57 1.48 3.26 0.55 0.00 -1.26 -5.03 105.19 104.76 3ml4 n GLY 121 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 3ml4 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ml4 s THR 122 N -1.98 0.00 -0.34 2.61 -4.23 -1.26 -5.00 115.64 105.43 3ml4 s THR 122 Ca 0.00 -1.92 0.17 0.00 -1.18 0.00 0.00 61.69 58.76 3ml4 s THR 122 Cb 0.00 -2.48 0.17 0.00 1.34 0.00 0.00 72.50 71.54 3ml4 s THR 122 CO 0.00 0.00 1.53 0.29 -0.54 0.00 0.00 174.62 175.90 3ml4 n LYS 123 N -0.35 0.11 -2.64 3.99 4.01 -1.26 -4.74 118.16 117.28 3ml4 n LYS 123 Ca 0.02 0.61 -0.39 0.00 -0.51 0.00 0.00 58.31 58.05 3ml4 n LYS 123 Cb 0.65 -1.88 -0.05 0.00 -0.51 0.00 0.00 35.03 33.24 3ml4 n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3ml4 s LEU 124 N -4.22 4.49 -0.04 -0.35 1.43 -1.26 -5.01 118.68 113.72 3ml4 s LEU 124 Ca -0.02 2.04 -0.30 0.00 -1.03 0.00 0.00 54.13 54.82 3ml4 s LEU 124 Cb 0.05 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 3ml4 s LEU 124 CO 0.16 -0.07 1.54 -0.70 0.23 0.00 0.00 176.35 177.51 3ml4 s GLU 125 N -1.61 4.21 0.55 1.70 2.12 -1.26 -4.83 118.70 119.58 3ml4 s GLU 125 Ca 0.46 2.08 -0.14 0.00 0.36 0.00 0.00 54.97 57.73 3ml4 s GLU 125 Cb -0.26 -3.82 -0.06 0.00 0.26 0.00 0.00 34.13 30.25 3ml4 s GLU 125 CO 0.33 -0.76 0.99 -1.54 -0.54 0.00 0.00 175.26 173.74 3ml4 s SER 126 N 2.73 6.47 0.00 -1.70 1.04 -1.26 -4.88 113.70 116.09 3ml4 s SER 126 Ca 0.69 1.48 0.00 0.00 0.48 0.00 0.00 55.95 58.60 3ml4 s SER 126 Cb -0.32 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.32 3ml4 s SER 126 CO 0.27 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.42 3ml4 n GLY 127 N -2.02 0.54 3.70 7.32 0.00 -0.55 -4.93 105.19 109.25 3ml4 n GLY 127 Ca 0.06 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 3ml4 n GLY 127 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ml4 s PRO 128 N -0.67 4.19 0.21 1.61 0.02 -1.26 -0.18 135.00 138.92 3ml4 s PRO 128 Ca 0.00 2.40 -0.14 0.00 0.02 0.00 0.00 61.00 63.28 3ml4 s PRO 128 Cb 0.00 -3.37 0.01 0.00 0.02 0.00 0.00 34.50 31.16 3ml4 s PRO 128 CO 0.00 -0.70 0.45 0.00 -0.33 0.00 0.00 177.00 176.42 3ml4 s ALA 129 N 1.91 -0.46 -0.12 -1.55 0.00 -0.44 -4.89 121.76 116.21 3ml4 s ALA 129 Ca 0.73 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.10 3ml4 s ALA 129 Cb -0.43 0.92 -0.00 0.00 0.00 0.00 0.00 23.12 23.61 3ml4 s ALA 129 CO 0.32 -0.78 -0.21 -0.08 0.00 0.00 0.00 175.76 175.01 3ml4 s THR 130 N -3.95 2.27 -0.08 0.00 -1.32 -0.99 0.35 115.64 111.92 3ml4 s THR 130 Ca 0.16 -0.93 -0.25 0.00 -1.21 0.00 0.00 61.69 59.45 3ml4 s THR 130 Cb 0.00 -1.90 -0.03 0.00 -1.51 0.00 0.00 72.50 69.06 3ml4 s THR 130 CO 0.02 0.55 0.78 -0.22 -2.21 0.00 0.00 174.62 173.54 3ml4 s LEU 131 N 0.48 4.29 -0.16 9.08 2.96 -0.08 -2.08 118.68 133.17 3ml4 s LEU 131 Ca -0.14 1.26 -0.02 0.00 -0.22 0.00 0.00 54.13 55.01 3ml4 s LEU 131 Cb -0.17 -3.20 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 3ml4 s LEU 131 CO 0.06 -0.21 -0.09 -1.00 -1.32 0.00 0.00 176.35 173.78 3ml4 s HIS 132 N 1.18 2.89 -0.27 5.38 3.76 0.12 -1.54 115.29 126.81 3ml4 s HIS 132 Ca 0.40 -0.67 -0.07 0.00 -0.15 0.00 0.00 55.06 54.57 3ml4 s HIS 132 Cb -0.18 -1.93 -0.01 0.00 1.11 0.00 0.00 32.58 31.57 3ml4 s HIS 132 CO 0.18 -0.27 0.08 -1.17 -0.85 0.00 0.00 174.74 172.71 3ml4 s LEU 133 N 0.65 3.62 -0.59 0.89 0.20 -0.28 -0.67 118.68 122.49 3ml4 s LEU 133 Ca -0.05 -0.41 0.04 0.00 0.69 0.00 0.00 54.13 54.40 3ml4 s LEU 133 Cb -0.15 -1.91 0.16 0.00 -0.43 0.00 0.00 46.19 43.86 3ml4 s LEU 133 CO 0.03 -0.10 0.39 0.00 -0.29 0.00 0.00 176.35 176.38 3ml4 n ASN 135 N 2.52 0.00 0.02 0.00 3.02 0.03 -1.86 115.26 118.99 3ml4 n ASN 135 Ca 0.17 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.83 3ml4 n ASN 135 Cb 0.36 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.62 3ml4 n ASN 135 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ml4 n ASP 136 N 3.94 0.64 -4.34 6.41 8.00 -1.26 -4.96 116.55 124.98 3ml4 n ASP 136 Ca 0.00 -0.33 -0.23 0.00 0.71 0.00 0.00 54.79 54.94 3ml4 n ASP 136 Cb 0.00 0.59 -0.11 0.00 -0.02 0.00 0.00 41.12 41.57 3ml4 n ASP 136 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3ml4 s ILE 137 N -3.09 1.90 -0.06 0.53 -4.36 -0.77 -1.75 121.20 113.59 3ml4 s ILE 137 Ca 0.07 -1.88 0.05 0.00 -0.26 0.00 0.00 60.65 58.63 3ml4 s ILE 137 Cb 0.16 -1.85 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 3ml4 s ILE 137 CO 0.77 -0.24 -0.21 -0.22 0.24 0.00 0.00 174.94 175.28 3ml4 s LEU 138 N -2.55 2.00 0.01 0.37 2.96 0.10 -1.23 118.68 120.34 3ml4 s LEU 138 Ca 0.15 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3ml4 s LEU 138 Cb -0.07 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 3ml4 s LEU 138 CO 0.07 0.19 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.59 3ml4 s VAL 139 N -0.01 0.09 -0.14 1.68 1.01 0.16 -0.11 120.40 123.08 3ml4 s VAL 139 Ca -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3ml4 s VAL 139 Cb -0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 3ml4 s VAL 139 CO 0.04 -0.10 -0.16 -0.76 0.00 0.00 0.00 175.10 174.11 3ml4 s LEU 140 N -0.37 2.47 0.16 3.92 1.43 -0.76 0.12 118.68 125.65 3ml4 s LEU 140 Ca -0.03 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3ml4 s LEU 140 Cb -0.03 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3ml4 s LEU 140 CO -0.00 0.11 -0.15 0.00 0.23 0.00 0.00 176.35 176.54 3ml4 s ALA 141 N 0.65 1.75 0.12 4.21 0.00 -0.88 -3.31 121.76 124.29 3ml4 s ALA 141 Ca -0.08 -1.47 -0.03 0.00 0.00 0.00 0.00 51.96 50.37 3ml4 s ALA 141 Cb -0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3ml4 s ALA 141 CO 0.02 0.09 0.10 1.03 0.00 0.00 0.00 175.76 177.01 3ml4 s ARG 142 N -3.13 0.90 0.18 0.00 0.52 -0.99 -2.33 118.95 114.10 3ml4 s ARG 142 Ca 0.15 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 3ml4 s ARG 142 Cb -0.03 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.72 3ml4 s ARG 142 CO 0.05 -0.26 0.00 -0.25 0.02 0.00 0.00 175.30 174.85 3ml4 n ASP 143 N -0.07 -3.81 -3.81 0.23 8.00 -1.26 -0.69 116.55 115.14 3ml4 n ASP 143 Ca -0.09 0.35 -0.26 0.00 0.71 0.00 0.00 54.79 55.50 3ml4 n ASP 143 Cb 0.63 -1.99 -0.17 0.00 -0.02 0.00 0.00 41.12 39.57 3ml4 n ASP 143 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ml4 s ILE 144 N -2.05 0.70 0.66 0.53 1.01 -1.26 -2.29 121.20 118.51 3ml4 s ILE 144 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 3ml4 s ILE 144 Cb 0.00 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.52 3ml4 s ILE 144 CO 0.00 0.08 1.13 -2.84 0.00 0.00 0.00 174.94 173.31 3ml4 s PRO 145 N 1.81 2.72 0.47 2.79 0.02 -1.26 -5.08 135.00 136.48 3ml4 s PRO 145 Ca 0.02 1.46 -0.24 0.00 0.02 0.00 0.00 61.00 62.26 3ml4 s PRO 145 Cb -0.15 -1.93 -0.07 0.00 0.02 0.00 0.00 34.50 32.37 3ml4 s PRO 145 CO -0.07 -1.32 1.38 -2.14 -0.33 0.00 0.00 177.00 174.52 3ml4 s PRO 146 N -4.02 3.57 -0.04 5.54 0.02 -0.97 -4.95 135.00 134.15 3ml4 s PRO 146 Ca 0.68 2.31 0.04 0.00 0.02 0.00 0.00 61.00 64.06 3ml4 s PRO 146 Cb -0.22 -2.55 -0.00 0.00 0.02 0.00 0.00 34.50 31.75 3ml4 s PRO 146 CO 0.41 -0.87 -0.17 0.95 -0.33 0.00 0.00 177.00 176.99 3ml4 s THR 147 N -1.25 1.41 1.07 0.99 -4.23 0.13 -4.69 115.64 109.07 3ml4 s THR 147 Ca 0.64 -0.71 -0.14 0.00 -1.18 0.00 0.00 61.69 60.29 3ml4 s THR 147 Cb -0.41 -1.21 0.23 0.00 1.34 0.00 0.00 72.50 72.44 3ml4 s THR 147 CO 0.52 0.41 1.09 -0.69 -0.54 0.00 0.00 174.62 175.41 3ml4 s VAL 148 N -0.03 1.89 0.55 2.29 1.01 -1.26 -2.34 120.40 122.51 3ml4 s VAL 148 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 3ml4 s VAL 148 Cb -0.11 -2.47 -0.10 0.00 0.00 0.00 0.00 36.38 33.71 3ml4 s VAL 148 CO 0.02 0.00 0.43 0.61 0.00 0.00 0.00 175.10 176.16 3ml4 n GLY 150 N -0.95 -1.74 3.14 4.51 0.00 -1.21 -5.00 105.19 103.94 3ml4 n GLY 150 Ca 0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 3ml4 n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ml4 s GLN 151 N -1.91 0.44 -0.02 1.61 -2.07 -1.26 -1.83 119.66 114.62 3ml4 s GLN 151 Ca 0.67 -0.09 -0.07 0.00 -1.82 0.00 0.00 55.36 54.05 3ml4 s GLN 151 Cb -0.46 0.19 0.01 0.00 -1.09 0.00 0.00 33.01 31.66 3ml4 s GLN 151 CO 0.56 -0.10 0.15 -1.58 -1.32 0.00 0.00 175.29 173.00 3ml4 s TRP 152 N -0.81 -0.05 0.11 9.60 0.51 0.84 -4.95 118.94 124.19 3ml4 s TRP 152 Ca -0.09 0.09 -0.22 0.00 -2.12 0.00 0.00 56.10 53.76 3ml4 s TRP 152 Cb -0.05 -0.00 -0.07 0.00 -0.81 0.00 0.00 33.47 32.53 3ml4 s TRP 152 CO 0.02 -0.21 0.66 0.15 -0.51 0.00 0.00 176.95 177.06 3ml4 s LYS 153 N -0.82 4.37 0.49 4.98 1.02 -1.26 0.02 119.74 128.54 3ml4 s LYS 153 Ca -0.09 0.93 0.18 0.00 0.02 0.00 0.00 55.97 57.01 3ml4 s LYS 153 Cb -0.05 -3.25 1.23 0.00 -0.52 0.00 0.00 37.83 35.23 3ml4 s LYS 153 CO 0.01 0.61 2.07 -0.07 -0.92 0.00 0.00 175.35 177.05 3ml4 h LEU 154 N 4.46 0.00 0.00 3.17 4.07 -1.69 -1.46 115.31 123.86 3ml4 h LEU 154 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 3ml4 h LEU 154 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 3ml4 h LEU 154 CO 0.65 0.11 0.00 -1.54 -1.08 0.00 0.00 178.44 176.57 3ml4 n SER 155 N -4.24 0.00 -0.85 -0.43 3.41 -1.26 -2.60 113.62 107.64 3ml4 n SER 155 Ca -0.03 -0.68 0.12 0.00 -0.26 0.00 0.00 58.87 58.02 3ml4 n SER 155 Cb 0.18 -0.09 0.08 0.00 -0.26 0.00 0.00 64.21 64.12 3ml4 n SER 155 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ml4 n ASP 156 N -1.09 2.78 -4.73 4.04 8.00 -0.55 -4.94 116.55 120.06 3ml4 n ASP 156 Ca 0.20 -1.89 -0.40 0.00 0.71 0.00 0.00 54.79 53.41 3ml4 n ASP 156 Cb 0.14 0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 3ml4 n ASP 156 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ml4 s LEU 157 N -2.10 4.37 -0.11 0.64 1.02 -1.07 -0.57 118.68 120.85 3ml4 s LEU 157 Ca 0.26 1.25 -0.28 0.00 0.02 0.00 0.00 54.13 55.38 3ml4 s LEU 157 Cb 0.20 -3.10 -0.25 0.00 0.02 0.00 0.00 46.19 43.06 3ml4 s LEU 157 CO 0.36 -0.05 0.88 0.03 0.02 0.00 0.00 176.35 177.60 3ml4 h ARG 158 N 6.30 0.02 -2.91 1.70 3.08 -1.50 -3.46 114.38 117.61 3ml4 h ARG 158 Ca -0.42 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.50 3ml4 h ARG 158 Cb 1.20 0.01 -0.19 0.00 0.08 0.00 0.00 29.97 31.06 3ml4 h ARG 158 CO 0.73 0.91 -0.20 1.03 -1.07 0.00 0.00 179.97 181.37 3ml4 s ARG 159 N -2.67 0.75 0.12 0.04 0.52 -1.25 -5.03 118.95 111.44 3ml4 s ARG 159 Ca -0.18 -0.17 -0.25 0.00 -0.52 0.00 0.00 55.73 54.62 3ml4 s ARG 159 Cb -0.02 0.34 0.07 0.00 0.52 0.00 0.00 34.95 35.86 3ml4 s ARG 159 CO 0.69 -0.22 0.75 1.52 0.02 0.00 0.00 175.30 178.06 3ml4 s TYR 160 N -1.48 -0.38 0.00 -0.53 -0.85 -1.26 -1.08 117.35 111.76 3ml4 s TYR 160 Ca -0.12 0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.58 3ml4 s TYR 160 Cb -0.04 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.88 3ml4 s TYR 160 CO 0.04 -0.81 0.00 0.41 -1.52 0.00 0.00 175.55 173.67 3ml4 n GLY 161 N -0.36 1.70 3.77 5.49 0.00 -0.22 -4.97 105.19 110.59 3ml4 n GLY 161 Ca -0.11 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 3ml4 n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml4 s ALA 162 N -2.00 3.36 0.05 4.61 0.00 -1.26 -1.64 121.76 124.87 3ml4 s ALA 162 Ca 0.00 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.20 3ml4 s ALA 162 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3ml4 s ALA 162 CO 0.00 -0.70 -0.09 0.08 0.00 0.00 0.00 175.76 175.05 3ml4 s VAL 163 N -1.22 0.64 -0.32 0.00 1.01 0.16 -4.92 120.40 115.75 3ml4 s VAL 163 Ca 0.53 -1.17 -0.38 0.00 0.00 0.00 0.00 61.98 60.96 3ml4 s VAL 163 Cb -0.38 -0.75 -0.14 0.00 0.00 0.00 0.00 36.38 35.11 3ml4 s VAL 163 CO 0.49 -0.39 2.01 -2.65 0.00 0.00 0.00 175.10 174.56 3ml4 n PRO 164 N 1.33 1.10 -1.06 2.72 -0.02 -1.26 0.20 135.00 138.02 3ml4 n PRO 164 Ca -0.22 0.35 -0.02 0.00 -2.02 0.00 0.00 63.50 61.60 3ml4 n PRO 164 Cb 0.55 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 3ml4 n PRO 164 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3ml4 n ASN 165 N 7.83 -5.10 -4.00 2.55 2.85 -1.26 -4.95 115.26 113.18 3ml4 n ASN 165 Ca 0.36 0.05 -0.10 0.00 -0.11 0.00 0.00 54.58 54.78 3ml4 n ASN 165 Cb 0.18 -2.78 -0.07 0.00 1.24 0.00 0.00 39.78 38.35 3ml4 n ASN 165 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3ml4 s GLY 166 N -2.11 0.61 -0.03 8.20 0.00 0.13 -2.01 107.32 112.11 3ml4 s GLY 166 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3ml4 s GLY 166 CO 0.00 -0.80 -0.06 -0.12 0.00 0.00 0.00 173.10 172.12 3ml4 s PHE 167 N -4.01 0.73 0.07 1.90 5.36 0.86 0.36 117.98 123.25 3ml4 s PHE 167 Ca 0.22 -0.19 0.09 0.00 -0.96 0.00 0.00 56.93 56.09 3ml4 s PHE 167 Cb 0.02 -0.59 -0.03 0.00 -0.34 0.00 0.00 43.02 42.07 3ml4 s PHE 167 CO 0.05 -0.13 -0.22 0.42 -1.46 0.00 0.00 175.22 173.88 3ml4 s ILE 168 N 0.55 2.54 -0.08 3.12 1.01 -0.65 -0.17 121.20 127.52 3ml4 s ILE 168 Ca -0.07 -1.37 -0.14 0.00 0.00 0.00 0.00 60.65 59.06 3ml4 s ILE 168 Cb -0.11 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.32 3ml4 s ILE 168 CO 0.00 0.27 0.35 0.72 0.00 0.00 0.00 174.94 176.29 3ml4 s PHE 169 N -0.94 -0.32 -0.12 3.97 -0.71 -0.74 -1.06 117.98 118.07 3ml4 s PHE 169 Ca 0.14 0.69 0.03 0.00 -1.04 0.00 0.00 56.93 56.75 3ml4 s PHE 169 Cb -0.10 0.13 0.00 0.00 -1.21 0.00 0.00 43.02 41.83 3ml4 s PHE 169 CO 0.05 -0.28 -0.22 -1.83 -1.34 0.00 0.00 175.22 171.60 3ml4 s GLU 170 N -0.45 3.09 -0.04 1.99 -1.05 -0.24 -0.25 118.70 121.74 3ml4 s GLU 170 Ca -0.06 -0.85 -0.29 0.00 -0.15 0.00 0.00 54.97 53.63 3ml4 s GLU 170 Cb -0.04 -2.39 -0.03 0.00 -0.44 0.00 0.00 34.13 31.24 3ml4 s GLU 170 CO 0.02 0.12 0.94 0.20 0.95 0.00 0.00 175.26 177.49 3ml4 s GLY 171 N 0.50 2.74 1.26 -3.83 0.00 -0.70 -1.23 107.32 106.05 3ml4 s GLY 171 Ca -0.14 0.43 -0.19 0.00 0.00 0.00 0.00 44.72 44.82 3ml4 s GLY 171 CO 0.05 1.66 1.03 -0.32 0.00 0.00 0.00 173.10 175.52 3ml4 s GLY 172 N 1.00 1.51 0.43 0.20 0.00 0.26 -1.53 107.32 109.20 3ml4 s GLY 172 Ca 0.49 -0.75 0.21 0.00 0.00 0.00 0.00 44.72 44.66 3ml4 s GLY 172 CO 0.24 0.13 1.82 -0.84 0.00 0.00 0.00 173.10 174.45 3ml4 h THR 173 N -2.84 0.57 -1.43 0.90 2.02 -1.96 -0.96 112.91 109.21 3ml4 h THR 173 Ca -0.48 -0.11 0.42 0.00 0.77 0.00 0.00 66.41 67.01 3ml4 h THR 173 Cb 1.32 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 3ml4 h THR 173 CO 0.36 0.06 1.03 0.03 0.37 0.00 0.00 175.52 177.37 3ml4 h ARG 174 N 0.33 0.00 -0.01 6.66 3.08 -1.90 -1.50 114.38 121.04 3ml4 h ARG 174 Ca 0.53 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.58 3ml4 h ARG 174 Cb 1.47 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.52 3ml4 h ARG 174 CO -0.20 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.70 3ml4 n GLY 176 N 1.09 0.92 0.19 0.00 0.00 -0.57 -0.45 105.19 106.38 3ml4 n GLY 176 Ca 0.21 0.62 0.13 0.00 0.00 0.00 0.00 46.02 46.98 3ml4 n GLY 176 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ml4 h TYR 177 N 0.00 0.00 -0.19 1.61 0.05 -1.92 -2.67 116.97 113.84 3ml4 h TYR 177 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ml4 h TYR 177 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3ml4 h TYR 177 CO 0.00 0.00 0.00 0.91 -1.05 0.00 0.00 178.16 178.02 3ml4 n TRP 178 N -2.44 0.28 -1.16 4.88 7.02 0.41 -4.90 117.44 121.53 3ml4 n TRP 178 Ca -0.00 -0.52 -0.31 0.00 -1.02 0.00 0.00 57.50 55.64 3ml4 n TRP 178 Cb 0.14 -0.05 0.11 0.00 -2.42 0.00 0.00 31.31 29.08 3ml4 n TRP 178 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3ml4 s ALA 179 N -1.11 2.08 0.00 6.99 0.00 -1.01 -4.39 121.76 124.33 3ml4 s ALA 179 Ca 0.15 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3ml4 s ALA 179 Cb 0.08 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3ml4 s ALA 179 CO 0.09 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.28 3ml4 n GLY 180 N -0.83 1.32 3.52 0.00 0.00 -0.58 -4.86 105.19 103.76 3ml4 n GLY 180 Ca 0.10 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 3ml4 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ml4 s VAL 181 N -1.30 4.56 -0.06 1.61 1.01 -1.26 -1.72 120.40 123.23 3ml4 s VAL 181 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3ml4 s VAL 181 Cb 0.00 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3ml4 s VAL 181 CO 0.00 0.37 -0.17 -0.36 0.00 0.00 0.00 175.10 174.94 3ml4 s PHE 182 N 1.22 2.65 -0.11 5.22 0.40 0.65 -4.94 117.98 123.07 3ml4 s PHE 182 Ca 0.05 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 3ml4 s PHE 182 Cb -0.14 -1.66 -0.00 0.00 0.51 0.00 0.00 43.02 41.73 3ml4 s PHE 182 CO 0.04 0.02 -0.21 0.12 0.70 0.00 0.00 175.22 175.88 3ml4 s PHE 183 N -0.41 2.63 -0.14 0.36 5.36 -1.26 -1.79 117.98 122.73 3ml4 s PHE 183 Ca 0.04 -1.00 0.01 0.00 -0.96 0.00 0.00 56.93 55.02 3ml4 s PHE 183 Cb -0.12 -1.75 0.02 0.00 -0.34 0.00 0.00 43.02 40.83 3ml4 s PHE 183 CO 0.02 -0.40 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.71 3ml4 s LEU 184 N 0.41 1.76 -0.11 6.12 1.43 0.76 -1.96 118.68 127.10 3ml4 s LEU 184 Ca -0.16 -0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 52.17 3ml4 s LEU 184 Cb -0.17 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 3ml4 s LEU 184 CO 0.07 -0.02 0.93 -0.44 0.23 0.00 0.00 176.35 177.12 3ml4 s SER 185 N 1.29 7.16 -0.07 2.29 0.01 -0.44 -0.10 113.70 123.84 3ml4 s SER 185 Ca 0.01 1.42 -0.29 0.00 1.31 0.00 0.00 55.95 58.40 3ml4 s SER 185 Cb -0.14 -2.52 0.10 0.00 0.21 0.00 0.00 66.02 63.68 3ml4 s SER 185 CO -0.08 -0.39 0.87 -0.55 0.41 0.00 0.00 173.24 173.50 3ml4 s SER 186 N 1.08 -0.45 0.20 2.44 0.15 -0.85 -1.46 113.70 114.81 3ml4 s SER 186 Ca 0.45 0.33 0.25 0.00 0.70 0.00 0.00 55.95 57.68 3ml4 s SER 186 Cb -0.18 0.40 0.59 0.00 -1.71 0.00 0.00 66.02 65.12 3ml4 s SER 186 CO 0.17 -0.53 1.59 0.00 1.20 0.00 0.00 173.24 175.68 3ml4 h ALA 187 N 2.46 0.85 -0.75 5.45 0.00 -1.90 -3.24 119.26 122.12 3ml4 h ALA 187 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.37 3ml4 h ALA 187 Cb 1.19 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.79 3ml4 h ALA 187 CO 0.33 0.00 0.40 0.39 0.00 0.00 0.00 179.25 180.37 3ml4 n GLU 188 N -2.31 2.74 -0.25 0.00 1.02 -1.26 -4.60 120.64 115.98 3ml4 n GLU 188 Ca 0.04 -2.62 -0.02 0.00 -0.02 0.00 0.00 57.16 54.55 3ml4 n GLU 188 Cb 0.45 -2.05 0.09 0.00 -0.02 0.00 0.00 31.44 29.90 3ml4 n GLU 188 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3ml4 h GLY 189 N 2.22 1.03 1.00 0.62 0.00 -1.82 -2.78 103.07 103.34 3ml4 h GLY 189 Ca 0.39 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 3ml4 h GLY 189 CO 0.80 0.24 0.29 0.83 0.00 0.00 0.00 176.54 178.70 3ml4 h GLU 190 N 0.82 0.95 -0.78 4.80 5.08 -1.88 -1.62 114.58 121.94 3ml4 h GLU 190 Ca 0.30 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3ml4 h GLU 190 Cb 0.08 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3ml4 h GLU 190 CO -0.14 0.77 0.00 1.04 -1.00 0.00 0.00 179.01 179.69 3ml4 n GLN 191 N -4.46 0.11 0.00 2.33 6.02 -1.05 -1.66 117.38 118.67 3ml4 n GLN 191 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3ml4 n GLN 191 Cb 0.14 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.20 3ml4 n GLN 191 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ml4 n SER 193 N 0.63 0.00 -0.21 1.08 2.88 -0.61 -0.66 113.62 116.73 3ml4 n SER 193 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3ml4 n SER 193 Cb 0.04 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.52 3ml4 n SER 193 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3ml4 h PHE 194 N 0.00 1.13 -0.41 0.66 3.57 -1.58 -0.42 116.94 119.88 3ml4 h PHE 194 Ca 0.00 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 3ml4 h PHE 194 Cb 0.00 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 3ml4 h PHE 194 CO 0.00 0.99 0.17 1.25 -2.23 0.00 0.00 178.31 178.49 3ml4 h LEU 195 N 0.94 0.56 -0.21 0.59 5.85 -1.15 -2.01 115.31 119.88 3ml4 h LEU 195 Ca 0.17 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3ml4 h LEU 195 Cb 0.53 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3ml4 h LEU 195 CO 0.03 0.57 0.09 -0.26 -0.34 0.00 0.00 178.44 178.53 3ml4 h PHE 196 N 0.52 0.17 -0.93 1.25 -1.00 -1.79 -1.40 116.94 113.76 3ml4 h PHE 196 Ca 0.14 0.01 0.15 0.00 2.81 0.00 0.00 57.97 61.08 3ml4 h PHE 196 Cb 0.18 -0.05 -0.08 0.00 3.61 0.00 0.00 35.95 39.62 3ml4 h PHE 196 CO -0.00 0.09 0.59 -0.44 -1.61 0.00 0.00 178.31 176.94 3ml4 h ASP 197 N 0.20 0.69 0.19 2.17 3.32 -0.81 -1.95 116.42 120.22 3ml4 h ASP 197 Ca 0.09 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3ml4 h ASP 197 Cb 0.03 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3ml4 h ASP 197 CO -0.07 0.33 -0.09 0.00 -1.72 0.00 0.00 179.24 177.69 3ml4 h ILE 199 N -1.01 1.08 0.00 0.00 5.03 -1.00 0.14 117.51 121.75 3ml4 h ILE 199 Ca -0.03 -0.40 -0.02 0.00 -0.12 0.00 0.00 64.86 64.30 3ml4 h ILE 199 Cb 0.37 -0.17 -0.00 0.00 -3.03 0.00 0.00 36.82 33.99 3ml4 h ILE 199 CO 0.04 0.21 -0.08 -0.37 -0.68 0.00 0.00 178.15 177.27 3ml4 h VAL 200 N 1.15 0.22 -0.58 1.67 -1.51 -1.53 -2.57 116.25 113.11 3ml4 h VAL 200 Ca 0.43 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 3ml4 h VAL 200 Cb 0.17 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3ml4 h VAL 200 CO -0.17 0.08 0.00 0.54 -1.23 0.00 0.00 177.57 176.79 3ml4 n ARG 201 N -3.23 4.44 -3.54 5.19 1.74 0.28 -4.94 116.66 116.61 3ml4 n ARG 201 Ca 0.00 -2.96 -0.22 0.00 -0.77 0.00 0.00 57.85 53.90 3ml4 n ARG 201 Cb 0.34 -2.14 0.08 0.00 -1.02 0.00 0.00 32.46 29.72 3ml4 n ARG 201 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ml4 n GLY 202 N 0.76 -0.48 3.08 -0.13 0.00 -0.85 -5.01 105.19 102.56 3ml4 n GLY 202 Ca 0.26 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 46.22 3ml4 n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ml4 s ILE 203 N -3.32 1.43 -0.21 -0.61 1.01 -0.02 -3.70 121.20 115.78 3ml4 s ILE 203 Ca 0.45 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 60.28 3ml4 s ILE 203 Cb -0.20 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 3ml4 s ILE 203 CO 0.71 0.42 0.51 -0.55 0.00 0.00 0.00 174.94 176.04 3ml4 s SER 204 N 0.64 6.52 0.50 3.58 0.15 0.42 -3.10 113.70 122.41 3ml4 s SER 204 Ca -0.14 0.63 0.26 0.00 0.70 0.00 0.00 55.95 57.39 3ml4 s SER 204 Cb -0.16 -2.29 1.34 0.00 -1.71 0.00 0.00 66.02 63.21 3ml4 s SER 204 CO 0.04 -0.20 1.92 -0.65 1.20 0.00 0.00 173.24 175.55 3ml4 h PRO 205 N 7.59 0.11 0.01 5.44 0.11 -1.94 -0.29 132.00 143.02 3ml4 h PRO 205 Ca -0.33 -0.01 -0.37 0.00 0.11 0.00 0.00 66.00 65.40 3ml4 h PRO 205 Cb 1.15 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3ml4 h PRO 205 CO 0.73 0.07 -2.05 -2.37 -0.21 0.00 0.00 178.00 174.17 3ml4 n THR 206 N -4.37 1.54 0.08 -1.15 5.66 -1.26 -4.72 114.28 110.06 3ml4 n THR 206 Ca 0.16 -0.28 0.11 0.00 -3.05 0.00 0.00 64.05 60.99 3ml4 n THR 206 Cb 0.76 -1.91 -0.12 0.00 -1.55 0.00 0.00 70.33 67.52 3ml4 n THR 206 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3ml4 n LYS 207 N -4.22 0.61 0.00 1.09 5.02 -1.18 -5.09 118.16 114.38 3ml4 n LYS 207 Ca -0.45 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 3ml4 n LYS 207 Cb 0.83 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 3ml4 n LYS 207 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ml4 n GLY 208 N 1.25 0.99 3.76 0.72 0.00 -0.13 -4.92 105.19 106.86 3ml4 n GLY 208 Ca -0.02 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 3ml4 n GLY 208 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ml4 s PRO 209 N 0.00 4.41 0.00 1.61 0.02 -1.26 0.16 135.00 139.94 3ml4 s PRO 209 Ca 0.00 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3ml4 s PRO 209 Cb 0.00 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3ml4 s PRO 209 CO 0.00 -0.15 0.49 1.19 -0.33 0.00 0.00 177.00 178.20