#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m85 h PRO 2 N 0.00 0.00 -0.26 0.03 0.11 -2.08 0.13 132.00 129.94 3m85 h PRO 2 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3m85 h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3m85 h PRO 2 CO 0.00 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 178.60 3m85 h GLU 3 N 0.00 0.43 -0.56 1.05 4.39 -2.04 -2.79 114.58 115.06 3m85 h GLU 3 Ca 0.03 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.67 3m85 h GLU 3 Cb 0.50 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 3m85 h GLU 3 CO -0.00 0.56 0.38 -0.44 -1.16 0.00 0.00 179.01 178.34 3m85 h ASP 4 N 0.40 0.46 0.09 1.42 3.32 -1.17 -3.05 116.42 117.89 3m85 h ASP 4 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3m85 h ASP 4 Cb 0.46 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3m85 h ASP 4 CO 0.03 0.30 -0.04 0.40 -1.72 0.00 0.00 179.24 178.21 3m85 h ILE 5 N 0.52 1.12 -0.90 0.35 2.04 -1.58 0.78 117.51 119.85 3m85 h ILE 5 Ca 0.24 -0.78 0.19 0.00 1.00 0.00 0.00 64.86 65.51 3m85 h ILE 5 Cb 0.29 1.61 -0.11 0.00 -0.74 0.00 0.00 36.82 37.88 3m85 h ILE 5 CO -0.07 0.19 0.45 -0.07 0.00 0.00 0.00 178.15 178.65 3m85 h LEU 6 N -0.47 0.49 -0.32 1.44 3.38 -1.66 -2.75 115.31 115.41 3m85 h LEU 6 Ca -0.01 0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 3m85 h LEU 6 Cb 0.40 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3m85 h LEU 6 CO 0.02 0.13 -0.48 0.58 0.09 0.00 0.00 178.44 178.78 3m85 h VAL 7 N 0.55 1.27 -0.46 1.22 2.07 -1.35 -2.48 116.25 117.08 3m85 h VAL 7 Ca 0.53 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 3m85 h VAL 7 Cb 0.88 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 3m85 h VAL 7 CO -0.44 0.54 0.21 0.44 0.02 0.00 0.00 177.57 178.35 3m85 h ASP 8 N 0.69 0.57 -0.09 0.57 3.45 -0.56 0.13 116.42 121.17 3m85 h ASP 8 Ca 0.03 -0.05 -0.07 0.00 0.43 0.00 0.00 57.03 57.38 3m85 h ASP 8 Cb 1.08 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3m85 h ASP 8 CO 0.11 0.50 -0.20 0.40 -1.57 0.00 0.00 179.24 178.48 3m85 h ILE 9 N 0.64 1.40 -0.32 0.35 1.08 -1.51 -2.32 117.51 116.82 3m85 h ILE 9 Ca 0.16 -1.50 0.06 0.00 -0.39 0.00 0.00 64.86 63.19 3m85 h ILE 9 Cb 0.08 2.14 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 3m85 h ILE 9 CO -0.02 0.43 0.22 0.50 -0.69 0.00 0.00 178.15 178.59 3m85 h LYS 10 N -0.15 0.16 -0.43 2.37 1.63 -0.97 0.94 116.57 120.11 3m85 h LYS 10 Ca 0.00 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 3m85 h LYS 10 Cb 0.79 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.37 3m85 h LYS 10 CO 0.04 0.11 0.09 -0.09 -3.45 0.00 0.00 179.45 176.15 3m85 h ARG 11 N 0.17 0.70 0.00 1.90 2.43 -0.54 -1.46 114.38 117.58 3m85 h ARG 11 Ca 0.14 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3m85 h ARG 11 Cb 0.36 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3m85 h ARG 11 CO -0.02 0.72 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.57 3m85 h ASP 12 N 0.56 0.00 0.35 -3.80 3.45 -0.28 -1.05 116.42 115.65 3m85 h ASP 12 Ca 0.13 0.00 -0.32 0.00 0.43 0.00 0.00 57.03 57.27 3m85 h ASP 12 Cb 0.35 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3m85 h ASP 12 CO 0.01 0.15 -1.62 0.22 -1.57 0.00 0.00 179.24 176.42 3m85 h TYR 13 N 0.00 0.55 -0.18 4.55 3.20 -1.11 -2.04 116.97 121.94 3m85 h TYR 13 Ca -0.00 -0.40 -0.09 0.00 3.14 0.00 0.00 58.73 61.38 3m85 h TYR 13 Cb 0.30 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3m85 h TYR 13 CO 0.00 1.49 -0.27 0.28 -1.64 0.00 0.00 178.16 178.02 3m85 h VAL 14 N 0.08 1.26 0.01 1.81 2.07 -0.89 -2.41 116.25 118.18 3m85 h VAL 14 Ca -0.28 -1.22 -0.20 0.00 0.82 0.00 0.00 66.70 65.81 3m85 h VAL 14 Cb 2.05 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 33.21 3m85 h VAL 14 CO 0.17 0.38 -0.95 -0.07 0.02 0.00 0.00 177.57 177.12 3m85 h LEU 15 N 0.30 0.04 0.25 2.57 3.38 -1.23 -2.39 115.31 118.23 3m85 h LEU 15 Ca 0.05 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m85 h LEU 15 Cb 0.64 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3m85 h LEU 15 CO 0.05 0.96 -0.19 -1.28 0.09 0.00 0.00 178.44 178.07 3m85 h SER 16 N 0.01 -0.49 -0.83 -0.43 0.87 -1.14 -1.53 113.55 110.01 3m85 h SER 16 Ca -0.02 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3m85 h SER 16 Cb 1.66 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 63.74 3m85 h SER 16 CO 0.13 -0.29 0.45 0.11 -0.53 0.00 0.00 176.83 176.69 3m85 h LYS 17 N -0.44 1.17 -0.85 2.24 1.79 -1.45 -2.26 116.57 116.77 3m85 h LYS 17 Ca -0.02 -0.14 0.06 0.00 -2.18 0.00 0.00 60.65 58.37 3m85 h LYS 17 Cb 0.39 -0.23 -0.06 0.00 -1.58 0.00 0.00 32.23 30.75 3m85 h LYS 17 CO -0.01 0.87 0.53 1.25 -1.08 0.00 0.00 179.45 181.01 3m85 h LEU 18 N 1.17 0.83 -1.59 2.94 6.46 -1.35 0.29 115.31 124.07 3m85 h LEU 18 Ca 0.29 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.05 3m85 h LEU 18 Cb 0.05 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 3m85 h LEU 18 CO -0.04 0.54 0.07 -0.09 -0.62 0.00 0.00 178.44 178.30 3m85 h ARG 19 N 0.97 0.34 -0.89 1.25 2.43 -0.73 0.85 114.38 118.61 3m85 h ARG 19 Ca 0.36 -0.04 -0.34 0.00 -0.81 0.00 0.00 59.98 59.16 3m85 h ARG 19 Cb 0.14 -0.07 -0.20 0.00 -0.42 0.00 0.00 29.97 29.43 3m85 h ARG 19 CO -0.16 0.31 0.43 -3.47 -1.51 0.00 0.00 179.97 175.56 3m85 n ASP 20 N -4.41 4.18 -2.48 -3.80 2.03 0.72 -4.93 116.55 107.86 3m85 n ASP 20 Ca 0.01 -3.29 -0.20 0.00 0.52 0.00 0.00 54.79 51.82 3m85 n ASP 20 Cb 0.14 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 3m85 n ASP 20 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3m85 n ASN 21 N -0.55 -5.80 -4.26 1.67 5.15 0.29 -4.98 115.26 106.78 3m85 n ASN 21 Ca 0.46 -0.10 -0.20 0.00 -0.60 0.00 0.00 54.58 54.14 3m85 n ASN 21 Cb 1.45 -4.76 -0.12 0.00 -0.53 0.00 0.00 39.78 35.82 3m85 n ASN 21 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3m85 s GLU 22 N -5.21 1.08 0.04 1.20 2.02 0.53 -4.97 118.70 113.39 3m85 s GLU 22 Ca 0.09 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.87 3m85 s GLU 22 Cb -0.04 -1.12 -0.04 0.00 0.10 0.00 0.00 34.13 33.03 3m85 s GLU 22 CO 0.11 0.24 0.14 1.03 0.02 0.00 0.00 175.26 176.80 3m85 s ARG 23 N -2.37 3.21 0.00 1.61 0.52 -1.26 -3.07 118.95 117.60 3m85 s ARG 23 Ca 0.08 -0.50 0.03 0.00 -0.52 0.00 0.00 55.73 54.83 3m85 s ARG 23 Cb -0.07 -2.93 0.16 0.00 0.52 0.00 0.00 34.95 32.63 3m85 s ARG 23 CO 0.04 0.62 1.02 0.44 0.02 0.00 0.00 175.30 177.44 3m85 n ILE 24 N 0.62 1.38 -0.09 1.52 -5.35 -1.26 -1.14 119.36 115.04 3m85 n ILE 24 Ca -0.09 0.34 0.02 0.00 -0.27 0.00 0.00 62.75 62.76 3m85 n ILE 24 Cb 0.52 -1.29 0.04 0.00 -1.74 0.00 0.00 39.64 37.17 3m85 n ILE 24 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3m85 n ASP 25 N -1.39 2.25 0.00 7.28 5.75 -1.26 -4.98 116.55 124.19 3m85 n ASP 25 Ca 0.01 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 3m85 n ASP 25 Cb 0.03 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 3m85 n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m85 n GLY 26 N -0.30 0.79 3.74 6.12 0.00 -0.30 -5.03 105.19 110.22 3m85 n GLY 26 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3m85 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m85 s ARG 27 N -0.09 2.19 0.72 1.61 0.52 -1.26 -4.91 118.95 117.73 3m85 s ARG 27 Ca 0.00 1.41 -0.12 0.00 -0.52 0.00 0.00 55.73 56.50 3m85 s ARG 27 Cb 0.00 -1.87 0.03 0.00 0.52 0.00 0.00 34.95 33.63 3m85 s ARG 27 CO 0.00 -1.73 1.09 0.20 0.02 0.00 0.00 175.30 174.89 3m85 s GLY 28 N -2.77 1.86 0.38 -3.53 0.00 -1.26 -4.35 107.32 97.64 3m85 s GLY 28 Ca 0.66 0.35 0.28 0.00 0.00 0.00 0.00 44.72 46.01 3m85 s GLY 28 CO 0.50 0.69 1.83 0.74 0.00 0.00 0.00 173.10 176.86 3m85 h PHE 29 N -0.63 0.00 -0.26 1.90 -1.00 -1.93 -2.75 116.94 112.26 3m85 h PHE 29 Ca -0.45 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.25 3m85 h PHE 29 Cb 1.23 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.74 3m85 h PHE 29 CO 0.57 0.00 -0.06 -0.40 -1.61 0.00 0.00 178.31 176.81 3m85 n ASP 30 N -2.51 2.94 -4.31 2.17 5.75 -1.26 -0.90 116.55 118.43 3m85 n ASP 30 Ca 0.00 -3.43 -0.35 0.00 -0.01 0.00 0.00 54.79 51.01 3m85 n ASP 30 Cb 0.18 -0.58 -0.14 0.00 -1.03 0.00 0.00 41.12 39.55 3m85 n ASP 30 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3m85 s GLU 31 N -3.05 3.37 0.74 0.11 2.12 -1.04 -4.94 118.70 116.00 3m85 s GLU 31 Ca 0.42 -0.64 -0.11 0.00 0.36 0.00 0.00 54.97 55.00 3m85 s GLU 31 Cb 0.37 -2.94 0.04 0.00 0.26 0.00 0.00 34.13 31.86 3m85 s GLU 31 CO 0.03 -0.14 1.08 -0.06 -0.54 0.00 0.00 175.26 175.63 3m85 s PHE 32 N 1.30 2.85 1.03 5.30 0.40 -1.26 -4.71 117.98 122.88 3m85 s PHE 32 Ca 0.04 1.45 -0.16 0.00 -0.60 0.00 0.00 56.93 57.65 3m85 s PHE 32 Cb -0.14 -2.97 0.21 0.00 0.51 0.00 0.00 43.02 40.62 3m85 s PHE 32 CO -0.03 -1.54 1.21 1.03 0.70 0.00 0.00 175.22 176.59 3m85 s ARG 33 N -4.99 0.17 -0.03 0.44 3.00 -1.26 -4.97 118.95 111.31 3m85 s ARG 33 Ca 0.60 -0.14 -0.32 0.00 0.00 0.00 0.00 55.73 55.87 3m85 s ARG 33 Cb -0.15 -1.77 -0.10 0.00 0.00 0.00 0.00 34.95 32.93 3m85 s ARG 33 CO 0.55 -2.77 1.95 1.17 0.00 0.00 0.00 175.30 176.21 3m85 n LYS 34 N -4.08 2.54 -3.70 3.54 3.00 -1.26 -4.70 118.16 113.50 3m85 n LYS 34 Ca 0.12 0.92 -0.37 0.00 -0.00 0.00 0.00 58.31 58.99 3m85 n LYS 34 Cb 0.59 -2.87 -0.11 0.00 0.00 0.00 0.00 35.03 32.65 3m85 n LYS 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3m85 s VAL 35 N 4.51 4.96 -0.12 3.15 1.01 -1.26 -2.37 120.40 130.28 3m85 s VAL 35 Ca 0.91 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 3m85 s VAL 35 Cb -0.54 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3m85 s VAL 35 CO 0.46 0.32 -0.06 -1.61 0.00 0.00 0.00 175.10 174.20 3m85 s GLU 36 N 1.42 3.27 -0.42 2.72 2.02 0.72 -4.98 118.70 123.45 3m85 s GLU 36 Ca 0.06 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.52 3m85 s GLU 36 Cb -0.15 -2.74 0.13 0.00 0.10 0.00 0.00 34.13 31.46 3m85 s GLU 36 CO 0.06 0.40 0.20 0.42 0.02 0.00 0.00 175.26 176.37 3m85 s ILE 37 N -0.10 1.50 -0.42 -1.63 1.01 -1.26 -0.57 121.20 119.73 3m85 s ILE 37 Ca 0.01 -2.41 -0.14 0.00 0.00 0.00 0.00 60.65 58.11 3m85 s ILE 37 Cb -0.13 -2.07 0.04 0.00 0.01 0.00 0.00 42.46 40.31 3m85 s ILE 37 CO 0.03 -0.82 0.31 -0.63 0.00 0.00 0.00 174.94 173.82 3m85 s ILE 38 N 0.56 5.10 0.55 2.92 -1.09 -0.03 -4.98 121.20 124.23 3m85 s ILE 38 Ca 0.16 -0.83 -0.11 0.00 -2.23 0.00 0.00 60.65 57.64 3m85 s ILE 38 Cb -0.23 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 3m85 s ILE 38 CO -0.05 -0.38 0.95 -2.84 -1.23 0.00 0.00 174.94 171.39 3m85 s PRO 39 N 1.64 3.67 -0.06 2.79 0.02 -1.26 -0.35 135.00 141.45 3m85 s PRO 39 Ca 0.04 0.65 0.00 0.00 0.02 0.00 0.00 61.00 61.71 3m85 s PRO 39 Cb -0.21 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.13 3m85 s PRO 39 CO 0.08 -0.39 0.00 0.09 -0.33 0.00 0.00 177.00 176.46 3m85 n ASN 40 N -2.28 -2.99 0.31 2.53 4.13 -0.31 -4.90 115.26 111.74 3m85 n ASN 40 Ca 0.05 0.01 0.19 0.00 1.68 0.00 0.00 54.58 56.51 3m85 n ASN 40 Cb 0.54 -0.61 0.98 0.00 -1.54 0.00 0.00 39.78 39.15 3m85 n ASN 40 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3m85 h VAL 41 N 0.00 0.14 -3.16 2.41 2.07 -1.78 -3.38 116.25 112.55 3m85 h VAL 41 Ca -0.01 -0.23 -0.62 0.00 0.82 0.00 0.00 66.70 66.66 3m85 h VAL 41 Cb 0.07 1.20 -0.40 0.00 -1.52 0.00 0.00 31.29 30.64 3m85 h VAL 41 CO 0.02 0.02 -0.72 -0.63 0.02 0.00 0.00 177.57 176.28 3m85 s ILE 42 N -4.06 1.61 0.12 4.57 -1.09 -1.26 -5.02 121.20 116.06 3m85 s ILE 42 Ca -0.03 -2.46 -0.29 0.00 -2.23 0.00 0.00 60.65 55.63 3m85 s ILE 42 Cb 0.12 -2.14 -0.10 0.00 -1.58 0.00 0.00 42.46 38.76 3m85 s ILE 42 CO 0.49 -0.81 1.49 -0.33 -1.23 0.00 0.00 174.94 174.55 3m85 h GLU 43 N 7.02 -0.33 -0.60 2.79 3.07 -1.98 -2.32 114.58 122.24 3m85 h GLU 43 Ca -0.05 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.89 3m85 h GLU 43 Cb 0.95 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.88 3m85 h GLU 43 CO 0.52 -0.22 0.30 0.87 -1.40 0.00 0.00 179.01 179.08 3m85 h LYS 44 N -0.34 0.55 -6.86 2.33 1.57 -1.97 -3.42 116.57 108.44 3m85 h LYS 44 Ca 0.07 -0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 58.25 3m85 h LYS 44 Cb 0.53 -0.12 0.15 0.00 0.08 0.00 0.00 32.23 32.87 3m85 h LYS 44 CO -0.55 0.36 0.23 0.00 -0.57 0.00 0.00 179.45 178.92 3m85 n ALA 45 N -2.36 0.46 0.03 3.86 0.00 -0.88 -4.93 120.51 116.69 3m85 n ALA 45 Ca 0.07 0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 3m85 n ALA 45 Cb 0.18 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 3m85 n ALA 45 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3m85 h GLU 46 N 0.78 0.67 -5.15 0.00 3.07 -1.32 -3.45 114.58 109.18 3m85 h GLU 46 Ca -0.48 -0.68 -0.36 0.00 -0.50 0.00 0.00 59.36 57.34 3m85 h GLU 46 Cb 1.35 0.18 -0.14 0.00 -0.84 0.00 0.00 28.75 29.30 3m85 h GLU 46 CO 0.53 1.27 -0.70 0.20 -1.40 0.00 0.00 179.01 178.90 3m85 s GLY 47 N -4.28 1.23 -0.19 -3.84 0.00 -0.75 -2.43 107.32 97.06 3m85 s GLY 47 Ca -0.09 -1.58 -0.30 0.00 0.00 0.00 0.00 44.72 42.75 3m85 s GLY 47 CO 0.91 -1.64 1.07 -1.35 0.00 0.00 0.00 173.10 172.09 3m85 s SER 48 N -3.22 -0.31 -0.16 1.64 1.04 -1.25 0.03 113.70 111.47 3m85 s SER 48 Ca 0.20 0.35 -0.10 0.00 0.48 0.00 0.00 55.95 56.88 3m85 s SER 48 Cb 0.03 0.27 0.05 0.00 0.10 0.00 0.00 66.02 66.47 3m85 s SER 48 CO 0.03 -0.28 0.40 0.00 0.98 0.00 0.00 173.24 174.38 3m85 s ALA 49 N -1.04 -1.02 -0.14 5.32 0.00 0.00 -1.16 121.76 123.73 3m85 s ALA 49 Ca 0.00 1.40 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 3m85 s ALA 49 Cb -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 3m85 s ALA 49 CO -0.00 -0.24 0.37 -1.17 0.00 0.00 0.00 175.76 174.72 3m85 s LEU 50 N 1.07 4.26 -0.06 0.00 2.96 0.52 -1.98 118.68 125.46 3m85 s LEU 50 Ca -0.07 0.64 0.06 0.00 -0.22 0.00 0.00 54.13 54.54 3m85 s LEU 50 Cb -0.07 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 3m85 s LEU 50 CO -0.09 0.05 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.06 3m85 s VAL 51 N 0.55 2.09 -0.14 1.68 1.01 -0.28 -0.85 120.40 124.45 3m85 s VAL 51 Ca 0.21 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 3m85 s VAL 51 Cb -0.14 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3m85 s VAL 51 CO 0.07 0.57 -0.12 -0.54 0.00 0.00 0.00 175.10 175.08 3m85 s LYS 52 N -0.20 3.37 -0.29 2.72 1.02 0.26 -1.87 119.74 124.75 3m85 s LYS 52 Ca -0.02 -0.68 -0.00 0.00 0.02 0.00 0.00 55.97 55.28 3m85 s LYS 52 Cb -0.13 -2.68 0.09 0.00 -0.52 0.00 0.00 37.83 34.58 3m85 s LYS 52 CO 0.03 0.14 0.06 -1.17 -0.92 0.00 0.00 175.35 173.50 3m85 s LEU 53 N 0.54 2.44 0.00 3.17 2.96 0.53 -0.20 118.68 128.12 3m85 s LEU 53 Ca -0.08 -1.53 0.00 0.00 -0.22 0.00 0.00 54.13 52.30 3m85 s LEU 53 Cb -0.16 -0.96 0.00 0.00 0.50 0.00 0.00 46.19 45.57 3m85 s LEU 53 CO 0.04 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 3m85 n GLY 54 N 4.78 3.44 0.65 7.98 0.00 -1.00 -1.77 105.19 119.26 3m85 n GLY 54 Ca -0.04 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.99 3m85 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m85 n ASP 55 N 6.01 2.20 -4.70 1.61 10.43 -1.26 -4.89 116.55 125.95 3m85 n ASP 55 Ca 0.00 -1.63 -0.42 0.00 2.57 0.00 0.00 54.79 55.31 3m85 n ASP 55 Cb 0.00 0.15 -0.03 0.00 1.84 0.00 0.00 41.12 43.08 3m85 n ASP 55 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3m85 s THR 56 N -2.19 4.87 0.01 -3.53 2.01 -0.73 -4.64 115.64 111.44 3m85 s THR 56 Ca 0.27 1.92 0.01 0.00 0.31 0.00 0.00 61.69 64.20 3m85 s THR 56 Cb 0.20 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 3m85 s THR 56 CO 0.41 0.11 -0.03 0.00 -0.69 0.00 0.00 174.62 174.42 3m85 s GLN 57 N 1.41 0.27 -0.00 4.92 -2.07 -0.22 -0.35 119.66 123.61 3m85 s GLN 57 Ca 0.47 -0.31 -0.01 0.00 -1.82 0.00 0.00 55.36 53.68 3m85 s GLN 57 Cb -0.19 -0.12 -0.00 0.00 -1.09 0.00 0.00 33.01 31.60 3m85 s GLN 57 CO 0.22 0.02 0.03 0.08 -1.32 0.00 0.00 175.29 174.32 3m85 s VAL 58 N -0.60 0.04 0.03 3.63 1.01 -0.78 -1.71 120.40 122.02 3m85 s VAL 58 Ca -0.05 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3m85 s VAL 58 Cb -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3m85 s VAL 58 CO -0.00 -0.18 -0.03 -0.69 0.00 0.00 0.00 175.10 174.20 3m85 s VAL 59 N -0.55 3.92 -0.01 2.92 1.01 -0.87 -1.13 120.40 125.70 3m85 s VAL 59 Ca -0.06 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.18 3m85 s VAL 59 Cb -0.04 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 3m85 s VAL 59 CO -0.00 0.31 -0.13 -0.69 0.00 0.00 0.00 175.10 174.59 3m85 s VAL 60 N -1.12 1.01 0.07 2.92 1.01 -0.84 0.17 120.40 123.63 3m85 s VAL 60 Ca 0.20 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.68 3m85 s VAL 60 Cb -0.11 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3m85 s VAL 60 CO 0.11 0.26 -0.19 -0.83 0.00 0.00 0.00 175.10 174.46 3m85 s GLY 61 N -0.35 1.07 -0.20 4.51 0.00 -0.97 -0.82 107.32 110.56 3m85 s GLY 61 Ca 0.05 -1.09 -0.00 0.00 0.00 0.00 0.00 44.72 43.68 3m85 s GLY 61 CO -0.00 -1.07 -0.15 0.14 0.00 0.00 0.00 173.10 172.01 3m85 s VAL 62 N -1.04 2.40 -0.12 1.40 1.01 0.10 -1.96 120.40 122.19 3m85 s VAL 62 Ca 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3m85 s VAL 62 Cb -0.09 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3m85 s VAL 62 CO 0.03 0.47 -0.08 -0.54 0.00 0.00 0.00 175.10 174.98 3m85 s LYS 63 N 1.33 3.33 0.26 2.72 -0.14 -0.74 -1.01 119.74 125.48 3m85 s LYS 63 Ca 0.04 -0.59 0.08 0.00 -1.36 0.00 0.00 55.97 54.15 3m85 s LYS 63 Cb -0.14 -2.73 -0.05 0.00 -1.68 0.00 0.00 37.83 33.23 3m85 s LYS 63 CO -0.10 0.34 -0.12 0.00 -0.76 0.00 0.00 175.35 174.71 3m85 s MET 64 N 0.05 1.51 -0.27 1.68 0.23 -1.26 -0.59 119.30 120.65 3m85 s MET 64 Ca -0.02 -1.72 -0.27 0.00 -1.03 0.00 0.00 55.69 52.65 3m85 s MET 64 Cb -0.14 -1.31 0.17 0.00 -1.53 0.00 0.00 34.83 32.02 3m85 s MET 64 CO 0.03 0.16 1.26 1.14 -2.03 0.00 0.00 175.02 175.58 3m85 s GLN 65 N -3.64 0.25 0.42 3.16 -2.07 -1.18 -4.88 119.66 111.71 3m85 s GLN 65 Ca 0.27 0.18 -0.25 0.00 -1.82 0.00 0.00 55.36 53.74 3m85 s GLN 65 Cb 0.00 0.12 -0.08 0.00 -1.09 0.00 0.00 33.01 31.96 3m85 s GLN 65 CO 0.11 -0.05 1.28 -2.14 -1.32 0.00 0.00 175.29 173.17 3m85 s PRO 66 N -0.41 3.87 0.31 9.60 0.02 -1.26 -1.63 135.00 145.51 3m85 s PRO 66 Ca 0.05 2.09 -0.19 0.00 0.02 0.00 0.00 61.00 62.98 3m85 s PRO 66 Cb -0.03 -2.66 0.06 0.00 0.02 0.00 0.00 34.50 31.88 3m85 s PRO 66 CO -0.09 -0.55 0.85 0.20 -0.33 0.00 0.00 177.00 177.08 3m85 s GLY 67 N -0.86 0.21 0.01 0.52 0.00 0.14 -4.87 107.32 102.47 3m85 s GLY 67 Ca 0.59 -0.54 -0.28 0.00 0.00 0.00 0.00 44.72 44.50 3m85 s GLY 67 CO 0.46 0.34 0.88 -1.83 0.00 0.00 0.00 173.10 172.95 3m85 s GLU 68 N -2.57 4.55 1.23 2.90 1.03 -1.26 -0.46 118.70 124.12 3m85 s GLU 68 Ca 0.16 1.24 -0.20 0.00 0.03 0.00 0.00 54.97 56.20 3m85 s GLU 68 Cb -0.04 -3.42 0.30 0.00 -0.80 0.00 0.00 34.13 30.16 3m85 s GLU 68 CO 0.09 0.08 1.10 -2.14 -1.33 0.00 0.00 175.26 173.07 3m85 s PRO 69 N 0.58 -1.43 0.26 -4.83 0.02 -1.26 -4.94 135.00 123.39 3m85 s PRO 69 Ca 0.45 -0.11 -0.30 0.00 0.02 0.00 0.00 61.00 61.07 3m85 s PRO 69 Cb -0.21 -1.58 -0.09 0.00 0.02 0.00 0.00 34.50 32.65 3m85 s PRO 69 CO 0.25 -3.84 1.04 0.00 -0.33 0.00 0.00 177.00 174.12 3m85 s ALA 70 N -2.98 3.38 0.37 -1.55 0.00 -1.24 -4.95 121.76 114.79 3m85 s ALA 70 Ca 0.71 0.79 0.08 0.00 0.00 0.00 0.00 51.96 53.54 3m85 s ALA 70 Cb -0.09 -3.28 0.73 0.00 0.00 0.00 0.00 23.12 20.47 3m85 s ALA 70 CO 0.56 -0.02 1.89 -1.35 0.00 0.00 0.00 175.76 176.84 3m85 h PRO 71 N 4.02 0.28 0.00 0.00 0.11 -1.96 -2.33 132.00 132.12 3m85 h PRO 71 Ca -0.46 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.45 3m85 h PRO 71 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3m85 h PRO 71 CO 0.68 0.43 -0.80 -0.44 -0.21 0.00 0.00 178.00 177.65 3m85 h ASP 72 N 0.27 0.00 -3.63 -2.05 3.32 -2.03 -3.41 116.42 108.90 3m85 h ASP 72 Ca 0.05 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.48 3m85 h ASP 72 Cb 0.40 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.55 3m85 h ASP 72 CO 0.02 0.58 -0.70 0.42 -1.72 0.00 0.00 179.24 177.84 3m85 s THR 73 N -2.92 1.86 0.69 0.35 -4.23 -0.88 -5.10 115.64 105.41 3m85 s THR 73 Ca 0.02 -2.99 -0.05 0.00 -1.18 0.00 0.00 61.69 57.49 3m85 s THR 73 Cb 0.08 -2.28 0.08 0.00 1.34 0.00 0.00 72.50 71.71 3m85 s THR 73 CO 0.77 -0.90 0.98 -2.84 -0.54 0.00 0.00 174.62 172.09 3m85 s PRO 74 N -0.07 2.08 0.00 3.99 0.02 -1.21 -3.59 135.00 136.21 3m85 s PRO 74 Ca 0.19 -0.50 0.00 0.00 0.02 0.00 0.00 61.00 60.71 3m85 s PRO 74 Cb -0.21 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.08 3m85 s PRO 74 CO -0.03 -1.25 0.00 -3.47 -0.33 0.00 0.00 177.00 171.92 3m85 n ASP 75 N -2.85 0.00 -4.16 2.53 4.64 -1.25 -5.02 116.55 110.45 3m85 n ASP 75 Ca 0.10 0.00 -0.26 0.00 -1.38 0.00 0.00 54.79 53.25 3m85 n ASP 75 Cb 0.60 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 40.52 3m85 n ASP 75 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3m85 s ARG 76 N -0.09 1.68 1.12 -0.67 0.52 -1.26 -4.26 118.95 116.00 3m85 s ARG 76 Ca 0.00 -0.63 -0.15 0.00 -0.52 0.00 0.00 55.73 54.43 3m85 s ARG 76 Cb 0.00 -1.52 0.25 0.00 0.52 0.00 0.00 34.95 34.20 3m85 s ARG 76 CO 0.00 0.31 1.07 0.20 0.02 0.00 0.00 175.30 176.90 3m85 s GLY 77 N -0.15 1.55 -0.07 -3.53 0.00 0.33 -4.84 107.32 100.61 3m85 s GLY 77 Ca 0.01 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.25 3m85 s GLY 77 CO 0.01 0.23 -0.17 0.14 0.00 0.00 0.00 173.10 173.31 3m85 s VAL 78 N -2.82 1.49 -0.13 1.40 1.01 -0.61 -4.95 120.40 115.79 3m85 s VAL 78 Ca 0.68 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.98 3m85 s VAL 78 Cb -0.17 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3m85 s VAL 78 CO 0.59 0.43 -0.21 -0.63 0.00 0.00 0.00 175.10 175.28 3m85 s ILE 79 N 0.40 2.21 -0.36 2.22 1.01 -1.26 0.70 121.20 126.12 3m85 s ILE 79 Ca -0.13 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.59 3m85 s ILE 79 Cb -0.15 -1.88 0.11 0.00 0.01 0.00 0.00 42.46 40.55 3m85 s ILE 79 CO 0.05 0.55 0.12 -0.63 0.00 0.00 0.00 174.94 175.03 3m85 s ILE 80 N 0.62 1.57 0.06 2.92 1.01 0.20 -4.99 121.20 122.59 3m85 s ILE 80 Ca -0.11 -2.09 -0.26 0.00 0.00 0.00 0.00 60.65 58.19 3m85 s ILE 80 Cb -0.16 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 3m85 s ILE 80 CO 0.03 -0.71 0.82 -0.69 0.00 0.00 0.00 174.94 174.39 3m85 s VAL 81 N 0.98 4.68 -0.04 2.92 1.01 -1.26 -2.56 120.40 126.13 3m85 s VAL 81 Ca 0.12 1.76 -0.08 0.00 0.00 0.00 0.00 61.98 63.78 3m85 s VAL 81 Cb -0.20 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.02 3m85 s VAL 81 CO -0.13 0.34 0.19 0.20 0.00 0.00 0.00 175.10 175.71 3m85 s ASN 82 N 0.00 -0.12 0.05 3.32 -0.87 -0.47 -4.82 114.94 112.04 3m85 s ASN 82 Ca 0.41 0.13 0.05 0.00 -1.57 0.00 0.00 52.86 51.88 3m85 s ASN 82 Cb -0.21 0.33 -0.02 0.00 -0.02 0.00 0.00 41.25 41.32 3m85 s ASN 82 CO 0.25 -0.24 -0.14 0.00 -2.57 0.00 0.00 177.10 174.40 3m85 s ALA 83 N -0.66 1.17 -0.20 0.60 0.00 -1.26 0.50 121.76 121.90 3m85 s ALA 83 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3m85 s ALA 83 Cb -0.04 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 22.97 3m85 s ALA 83 CO 0.01 0.20 -0.11 -2.00 0.00 0.00 0.00 175.76 173.86 3m85 s GLU 84 N -1.40 2.15 -0.75 0.00 2.12 0.59 -4.89 118.70 116.52 3m85 s GLU 84 Ca -0.00 -0.88 -0.04 0.00 0.36 0.00 0.00 54.97 54.41 3m85 s GLU 84 Cb -0.09 -2.46 0.10 0.00 0.26 0.00 0.00 34.13 31.95 3m85 s GLU 84 CO 0.02 -0.41 2.59 1.28 -0.54 0.00 0.00 175.26 178.19 3m85 n LEU 85 N 4.66 7.02 -4.31 2.70 4.32 -1.26 -2.24 117.00 127.89 3m85 n LEU 85 Ca -0.15 -4.40 -0.34 0.00 -0.02 0.00 0.00 56.01 51.10 3m85 n LEU 85 Cb 0.47 -1.26 0.11 0.00 -1.62 0.00 0.00 43.42 41.12 3m85 n LEU 85 CO 0.21 1.84 -0.42 1.33 -1.22 0.00 0.00 177.39 179.13 3m85 n VAL 86 N 1.01 0.00 -1.69 4.08 0.24 -1.26 -4.73 118.33 115.98 3m85 n VAL 86 Ca 0.53 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 62.15 3m85 n VAL 86 Cb 0.43 -0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 32.28 3m85 n VAL 86 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3m85 n PRO 87 N -0.88 2.78 0.00 7.34 -0.02 -1.26 -1.80 135.00 141.16 3m85 n PRO 87 Ca 0.04 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3m85 n PRO 87 Cb 0.56 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 3m85 n PRO 87 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3m85 n LEU 88 N 5.47 0.00 -0.18 2.45 -0.00 -1.26 -4.88 117.00 118.59 3m85 n LEU 88 Ca 0.18 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.30 3m85 n LEU 88 Cb 0.37 0.00 0.58 0.00 -0.00 0.00 0.00 43.42 44.37 3m85 n LEU 88 CO 0.66 0.00 0.88 0.00 -0.00 0.00 0.00 177.39 178.93 3m85 n ALA 89 N -0.30 2.60 0.00 1.47 0.00 -0.75 -4.83 120.51 118.69 3m85 n ALA 89 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3m85 n ALA 89 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3m85 n ALA 89 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3m85 n SER 90 N -0.47 0.00 0.24 0.00 2.88 -1.26 -2.73 113.62 112.29 3m85 n SER 90 Ca 0.17 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.84 3m85 n SER 90 Cb 0.16 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.32 3m85 n SER 90 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3m85 h PRO 91 N 0.00 0.00 -0.36 -1.46 0.11 -1.96 -2.91 132.00 125.43 3m85 h PRO 91 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3m85 h PRO 91 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3m85 h PRO 91 CO 0.00 0.00 0.00 -2.37 -0.21 0.00 0.00 178.00 175.42 3m85 n THR 92 N -2.51 1.47 -3.74 -1.15 5.66 -1.26 -4.96 114.28 107.79 3m85 n THR 92 Ca -0.02 -1.28 -0.35 0.00 -3.05 0.00 0.00 64.05 59.34 3m85 n THR 92 Cb 0.21 0.24 -0.09 0.00 -1.55 0.00 0.00 70.33 69.14 3m85 n THR 92 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3m85 s PHE 93 N -1.63 3.36 -0.10 1.09 5.36 -1.10 -5.09 117.98 119.86 3m85 s PHE 93 Ca 0.32 0.26 -0.04 0.00 -0.96 0.00 0.00 56.93 56.51 3m85 s PHE 93 Cb 0.21 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.67 3m85 s PHE 93 CO 0.15 0.19 0.06 -2.00 -1.46 0.00 0.00 175.22 172.17 3m85 s GLU 94 N 0.61 3.18 0.88 10.12 2.12 -1.26 -4.50 118.70 129.84 3m85 s GLU 94 Ca 0.07 -0.29 -0.11 0.00 0.36 0.00 0.00 54.97 55.00 3m85 s GLU 94 Cb -0.12 -2.96 0.12 0.00 0.26 0.00 0.00 34.13 31.42 3m85 s GLU 94 CO 0.00 0.73 1.10 -2.14 -0.54 0.00 0.00 175.26 174.42 3m85 s PRO 95 N -0.98 1.40 0.00 4.30 0.02 -1.26 -4.81 135.00 133.66 3m85 s PRO 95 Ca 0.14 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.30 3m85 s PRO 95 Cb -0.12 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.60 3m85 s PRO 95 CO 0.03 -2.24 0.00 0.41 -0.33 0.00 0.00 177.00 174.88 3m85 n GLY 96 N -0.67 0.88 3.30 0.52 0.00 -1.26 -5.09 105.19 102.88 3m85 n GLY 96 Ca 0.09 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 3m85 n GLY 96 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3m85 n PRO 97 N -1.21 -0.15 -1.70 1.61 -0.02 -1.26 -4.81 135.00 127.46 3m85 n PRO 97 Ca 0.00 -0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.03 3m85 n PRO 97 Cb 0.00 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3m85 n PRO 97 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3m85 n PRO 98 N -0.37 2.60 -1.01 0.52 -0.02 -1.26 -4.98 135.00 130.47 3m85 n PRO 98 Ca 0.05 0.94 -0.30 0.00 -2.02 0.00 0.00 63.50 62.17 3m85 n PRO 98 Cb 0.54 -2.78 0.24 0.00 -0.02 0.00 0.00 33.50 31.48 3m85 n PRO 98 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3m85 s ASP 99 N 1.77 0.77 0.60 2.55 -4.77 -1.26 -4.81 116.67 111.52 3m85 s ASP 99 Ca 0.79 0.67 0.38 0.00 -3.30 0.00 0.00 52.55 51.10 3m85 s ASP 99 Cb -0.55 -0.94 1.82 0.00 -1.09 0.00 0.00 42.92 42.16 3m85 s ASP 99 CO 0.36 -4.22 2.15 1.05 0.70 0.00 0.00 175.17 175.21 3m85 h GLU 100 N -2.65 0.00 0.04 2.11 4.11 -2.00 -2.51 114.58 113.69 3m85 h GLU 100 Ca -0.45 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 58.69 3m85 h GLU 100 Cb 1.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 3m85 h GLU 100 CO 0.34 0.00 -1.53 -0.91 0.07 0.00 0.00 179.01 176.98 3m85 h ASN 101 N 0.00 0.15 0.28 3.06 4.21 -2.00 -2.53 115.58 118.75 3m85 h ASN 101 Ca 0.00 -0.23 -0.02 0.00 1.21 0.00 0.00 56.30 57.26 3m85 h ASN 101 Cb 0.29 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.44 3m85 h ASN 101 CO 0.00 1.20 -0.10 -1.28 -1.29 0.00 0.00 177.43 175.96 3m85 h SER 102 N 0.03 0.00 0.00 5.81 0.87 -1.83 -2.53 113.55 115.90 3m85 h SER 102 Ca -0.23 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 3m85 h SER 102 Cb 1.96 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.92 3m85 h SER 102 CO 0.11 0.10 -0.15 0.40 -0.53 0.00 0.00 176.83 176.77 3m85 h ILE 103 N 0.00 1.23 0.00 2.23 2.04 -1.39 -3.23 117.51 118.38 3m85 h ILE 103 Ca -0.00 -1.97 -0.03 0.00 1.00 0.00 0.00 64.86 63.85 3m85 h ILE 103 Cb 0.27 2.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.72 3m85 h ILE 103 CO 0.01 0.42 -0.14 1.05 0.00 0.00 0.00 178.15 179.49 3m85 h GLU 104 N -1.00 0.00 -0.29 2.37 4.11 -1.48 -1.24 114.58 117.05 3m85 h GLU 104 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 3m85 h GLU 104 Cb 0.78 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3m85 h GLU 104 CO -0.02 0.14 0.17 1.25 0.07 0.00 0.00 179.01 180.62 3m85 h LEU 105 N 0.00 0.35 -0.50 3.06 6.46 -1.56 -1.52 115.31 121.59 3m85 h LEU 105 Ca -0.00 -0.06 -0.14 0.00 -0.12 0.00 0.00 57.88 57.56 3m85 h LEU 105 Cb 0.30 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3m85 h LEU 105 CO 0.02 0.30 -0.33 0.00 -0.62 0.00 0.00 178.44 177.81 3m85 h ALA 106 N 1.06 0.69 -0.04 1.25 0.00 -1.35 -2.77 119.26 118.10 3m85 h ALA 106 Ca 0.10 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3m85 h ALA 106 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3m85 h ALA 106 CO -0.02 0.67 -0.19 0.00 0.00 0.00 0.00 179.25 179.71 3m85 h ARG 107 N 0.72 0.06 0.15 0.00 3.08 -1.05 0.53 114.38 117.86 3m85 h ARG 107 Ca 0.07 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3m85 h ARG 107 Cb 0.90 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3m85 h ARG 107 CO 0.08 0.25 -0.07 0.28 -1.07 0.00 0.00 179.97 179.44 3m85 h VAL 108 N 0.06 0.95 -0.88 2.04 2.07 -1.16 -1.51 116.25 117.82 3m85 h VAL 108 Ca 0.01 -1.09 0.16 0.00 0.82 0.00 0.00 66.70 66.60 3m85 h VAL 108 Cb 0.37 1.56 -0.10 0.00 -1.52 0.00 0.00 31.29 31.59 3m85 h VAL 108 CO 0.03 0.23 0.46 0.58 0.02 0.00 0.00 177.57 178.89 3m85 h VAL 109 N -0.78 0.71 -0.58 2.57 2.07 -1.30 0.21 116.25 119.14 3m85 h VAL 109 Ca -0.02 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3m85 h VAL 109 Cb 0.53 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3m85 h VAL 109 CO 0.03 0.12 0.07 -0.78 0.02 0.00 0.00 177.57 177.03 3m85 h ASP 110 N 0.63 0.91 0.42 0.57 3.58 -0.92 -2.53 116.42 119.09 3m85 h ASP 110 Ca 0.49 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 3m85 h ASP 110 Cb 0.72 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.53 3m85 h ASP 110 CO -0.38 0.93 -0.20 0.03 -2.88 0.00 0.00 179.24 176.74 3m85 h ARG 111 N 0.90 -0.55 -0.30 0.28 3.08 0.11 0.87 114.38 118.77 3m85 h ARG 111 Ca 0.18 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.33 3m85 h ARG 111 Cb 0.43 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 3m85 h ARG 111 CO 0.01 -0.33 -0.11 0.78 -1.07 0.00 0.00 179.97 179.25 3m85 h GLY 112 N -0.63 0.15 0.74 0.04 0.00 -1.36 0.30 103.07 102.32 3m85 h GLY 112 Ca -0.06 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.47 3m85 h GLY 112 CO 0.10 -0.14 0.39 -2.22 0.00 0.00 0.00 176.54 174.66 3m85 h ILE 113 N -0.06 1.01 0.02 2.60 2.04 -1.21 -2.31 117.51 119.60 3m85 h ILE 113 Ca 0.15 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 3m85 h ILE 113 Cb 0.29 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3m85 h ILE 113 CO -0.34 0.13 -0.01 -0.09 0.00 0.00 0.00 178.15 177.84 3m85 h ARG 114 N 0.73 -0.03 0.00 2.37 2.43 -0.31 -2.01 114.38 117.56 3m85 h ARG 114 Ca 0.29 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3m85 h ARG 114 Cb 0.13 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3m85 h ARG 114 CO -0.16 0.69 -0.00 0.93 -1.51 0.00 0.00 179.97 179.92 3m85 h GLU 115 N -0.90 0.00 0.00 0.20 4.39 -0.46 0.27 114.58 118.08 3m85 h GLU 115 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3m85 h GLU 115 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3m85 h GLU 115 CO 0.01 0.00 -0.52 -1.13 -1.16 0.00 0.00 179.01 176.21 3m85 n SER 116 N -3.11 0.54 -2.75 1.42 3.41 -0.87 -4.94 113.62 107.32 3m85 n SER 116 Ca -0.02 -0.03 -0.18 0.00 -0.26 0.00 0.00 58.87 58.38 3m85 n SER 116 Cb 0.13 0.16 0.06 0.00 -0.26 0.00 0.00 64.21 64.29 3m85 n SER 116 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m85 n GLU 117 N -1.76 -5.71 -0.32 4.33 1.02 0.08 -4.87 120.64 113.41 3m85 n GLU 117 Ca 0.05 0.62 -0.04 0.00 -0.02 0.00 0.00 57.16 57.77 3m85 n GLU 117 Cb 0.38 -5.01 0.08 0.00 -0.02 0.00 0.00 31.44 26.87 3m85 n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m85 h ALA 118 N 0.75 1.11 -3.42 0.62 0.00 -1.59 -3.40 119.26 113.33 3m85 h ALA 118 Ca -0.42 -0.11 -0.68 0.00 0.00 0.00 0.00 54.91 53.70 3m85 h ALA 118 Cb 1.27 -0.35 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 3m85 h ALA 118 CO 0.42 0.59 -0.65 0.08 0.00 0.00 0.00 179.25 179.69 3m85 s VAL 119 N -5.91 4.10 -1.03 0.00 1.01 -1.26 0.32 120.40 117.62 3m85 s VAL 119 Ca -0.13 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 3m85 s VAL 119 Cb 0.16 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.85 3m85 s VAL 119 CO 0.82 0.51 1.42 -0.62 0.00 0.00 0.00 175.10 177.23 3m85 s ASP 120 N -1.13 6.54 0.55 3.32 3.68 -1.08 -4.85 116.67 123.70 3m85 s ASP 120 Ca 0.15 -1.61 0.26 0.00 2.13 0.00 0.00 52.55 53.48 3m85 s ASP 120 Cb -0.11 -2.54 1.47 0.00 -1.45 0.00 0.00 42.92 40.29 3m85 s ASP 120 CO 0.05 -1.42 2.04 -0.07 0.13 0.00 0.00 175.17 175.90 3m85 h LEU 121 N 12.42 0.00 -0.18 -1.34 3.38 -1.92 -1.53 115.31 126.14 3m85 h LEU 121 Ca 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 3m85 h LEU 121 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3m85 h LEU 121 CO 1.38 0.00 -0.14 0.77 0.09 0.00 0.00 178.44 180.54 3m85 h SER 122 N 0.00 0.44 0.00 -0.43 4.64 -1.89 0.97 113.55 117.28 3m85 h SER 122 Ca 0.17 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3m85 h SER 122 Cb 0.75 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3m85 h SER 122 CO -0.00 0.80 0.00 0.29 -0.87 0.00 0.00 176.83 177.05 3m85 n LYS 123 N -4.53 0.42 -0.11 4.77 5.02 -0.58 -2.09 118.16 121.06 3m85 n LYS 123 Ca -0.05 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.33 3m85 n LYS 123 Cb 0.36 -1.01 0.14 0.00 -0.02 0.00 0.00 35.03 34.51 3m85 n LYS 123 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3m85 n LEU 124 N -0.48 2.92 -4.76 -0.35 4.77 -1.10 -4.99 117.00 113.03 3m85 n LEU 124 Ca 0.00 -1.37 -0.40 0.00 -0.03 0.00 0.00 56.01 54.21 3m85 n LEU 124 Cb 0.00 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 3m85 n LEU 124 CO 0.00 0.61 0.58 0.54 -1.33 0.00 0.00 177.39 177.78 3m85 s VAL 125 N -1.35 4.30 -0.02 4.08 0.11 -0.89 -0.50 120.40 126.13 3m85 s VAL 125 Ca 0.28 1.91 -0.08 0.00 -2.93 0.00 0.00 61.98 61.16 3m85 s VAL 125 Cb 0.17 -4.24 -0.03 0.00 -1.53 0.00 0.00 36.38 30.75 3m85 s VAL 125 CO 0.24 0.47 -0.15 -0.38 -3.33 0.00 0.00 175.10 171.95 3m85 n ILE 126 N 1.83 1.35 -4.03 7.04 5.41 0.04 -4.91 119.36 126.09 3m85 n ILE 126 Ca -0.03 0.29 -0.31 0.00 1.00 0.00 0.00 62.75 63.70 3m85 n ILE 126 Cb 0.48 -1.92 -0.16 0.00 -0.71 0.00 0.00 39.64 37.33 3m85 n ILE 126 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3m85 s GLU 127 N -2.39 2.20 0.50 0.38 2.02 0.46 -4.98 118.70 116.87 3m85 s GLU 127 Ca -0.13 -0.97 0.44 0.00 0.02 0.00 0.00 54.97 54.34 3m85 s GLU 127 Cb 0.02 -2.56 1.58 0.00 0.10 0.00 0.00 34.13 33.27 3m85 s GLU 127 CO 0.19 -0.44 1.46 0.39 0.02 0.00 0.00 175.26 176.88 3m85 n GLU 128 N 4.61 -0.01 -0.05 1.61 -0.58 -1.26 -1.34 120.64 123.63 3m85 n GLU 128 Ca -0.15 1.04 -0.22 0.00 -0.42 0.00 0.00 57.16 57.42 3m85 n GLU 128 Cb 0.46 -2.33 -0.13 0.00 -0.57 0.00 0.00 31.44 28.87 3m85 n GLU 128 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m85 n GLY 129 N -1.79 -0.58 0.37 0.62 0.00 -1.26 -3.86 105.19 98.70 3m85 n GLY 129 Ca 0.41 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3m85 n GLY 129 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3m85 n GLU 130 N -3.69 0.00 -3.94 1.61 2.13 -0.92 -4.70 120.64 111.13 3m85 n GLU 130 Ca -0.35 -0.27 -0.30 0.00 0.66 0.00 0.00 57.16 56.90 3m85 n GLU 130 Cb 0.96 -0.15 -0.16 0.00 0.27 0.00 0.00 31.44 32.35 3m85 n GLU 130 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3m85 s LYS 131 N 0.00 1.70 0.12 5.31 2.20 -0.45 -4.11 119.74 124.51 3m85 s LYS 131 Ca 0.00 -0.80 -0.09 0.00 -0.36 0.00 0.00 55.97 54.72 3m85 s LYS 131 Cb 0.00 -2.36 -0.00 0.00 -1.51 0.00 0.00 37.83 33.95 3m85 s LYS 131 CO 0.00 -0.49 0.24 0.54 -0.36 0.00 0.00 175.35 175.28 3m85 s VAL 132 N 1.47 0.11 0.43 4.02 0.11 0.40 0.17 120.40 127.11 3m85 s VAL 132 Ca -0.02 -1.23 -0.22 0.00 -2.93 0.00 0.00 61.98 57.58 3m85 s VAL 132 Cb -0.17 -1.53 -0.09 0.00 -1.53 0.00 0.00 36.38 33.06 3m85 s VAL 132 CO -0.07 -0.50 1.01 0.26 -3.33 0.00 0.00 175.10 172.47 3m85 s TRP 133 N -3.90 3.23 -0.33 1.54 0.23 0.35 0.26 118.94 120.32 3m85 s TRP 133 Ca 0.10 1.62 0.01 0.00 -2.03 0.00 0.00 56.10 55.80 3m85 s TRP 133 Cb 0.04 -3.00 0.10 0.00 0.03 0.00 0.00 33.47 30.64 3m85 s TRP 133 CO -0.07 -0.46 0.09 0.42 0.96 0.00 0.00 176.95 177.89 3m85 s ILE 134 N -1.92 1.32 -0.37 2.03 1.01 -0.64 -1.58 121.20 121.05 3m85 s ILE 134 Ca 0.62 -1.75 -0.26 0.00 0.00 0.00 0.00 60.65 59.25 3m85 s ILE 134 Cb -0.16 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3m85 s ILE 134 CO 0.20 -0.67 0.95 -0.69 0.00 0.00 0.00 174.94 174.73 3m85 s VAL 135 N 1.33 4.56 -0.44 2.92 1.01 0.22 -3.10 120.40 126.89 3m85 s VAL 135 Ca 0.11 1.22 -0.15 0.00 0.00 0.00 0.00 61.98 63.15 3m85 s VAL 135 Cb -0.18 -4.36 0.05 0.00 0.00 0.00 0.00 36.38 31.89 3m85 s VAL 135 CO -0.19 -0.56 0.34 -0.36 0.00 0.00 0.00 175.10 174.33 3m85 s PHE 136 N 3.54 3.24 -0.30 5.22 0.40 0.24 -0.63 117.98 129.69 3m85 s PHE 136 Ca 0.39 -0.76 -0.18 0.00 -0.60 0.00 0.00 56.93 55.79 3m85 s PHE 136 Cb -0.12 -2.87 -0.02 0.00 0.51 0.00 0.00 43.02 40.53 3m85 s PHE 136 CO 0.19 -0.69 0.49 0.08 0.70 0.00 0.00 175.22 176.00 3m85 s VAL 137 N 1.66 5.06 -0.18 -0.44 1.01 -1.06 -1.80 120.40 124.65 3m85 s VAL 137 Ca 0.05 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.62 3m85 s VAL 137 Cb -0.22 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.33 3m85 s VAL 137 CO 0.08 -0.04 -0.11 -1.81 0.00 0.00 0.00 175.10 173.22 3m85 s ASP 138 N 1.66 3.17 0.01 3.32 1.11 -0.83 -1.36 116.67 123.75 3m85 s ASP 138 Ca 0.19 -0.76 -0.18 0.00 0.18 0.00 0.00 52.55 51.97 3m85 s ASP 138 Cb -0.16 -1.20 -0.06 0.00 1.07 0.00 0.00 42.92 42.57 3m85 s ASP 138 CO 0.11 -0.12 0.53 -0.63 1.18 0.00 0.00 175.17 176.24 3m85 s ILE 139 N 1.43 4.91 -0.30 0.77 1.01 0.18 -2.29 121.20 126.91 3m85 s ILE 139 Ca 0.01 1.10 -0.03 0.00 0.00 0.00 0.00 60.65 61.73 3m85 s ILE 139 Cb -0.15 -3.85 0.11 0.00 0.01 0.00 0.00 42.46 38.57 3m85 s ILE 139 CO -0.09 0.50 0.16 -2.28 0.00 0.00 0.00 174.94 173.23 3m85 s HIS 140 N -0.65 0.23 0.36 3.97 2.46 0.13 -0.30 115.29 121.49 3m85 s HIS 140 Ca 0.28 -0.84 -0.28 0.00 0.47 0.00 0.00 55.06 54.69 3m85 s HIS 140 Cb -0.18 -0.83 -0.11 0.00 -0.13 0.00 0.00 32.58 31.33 3m85 s HIS 140 CO 0.16 -0.85 1.50 0.00 -2.47 0.00 0.00 174.74 173.09 3m85 s ALA 141 N 2.04 3.61 -0.07 1.58 0.00 -0.95 -2.05 121.76 125.93 3m85 s ALA 141 Ca 0.10 1.56 -0.00 0.00 0.00 0.00 0.00 51.96 53.62 3m85 s ALA 141 Cb -0.16 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 3m85 s ALA 141 CO -0.33 -1.03 -0.06 1.28 0.00 0.00 0.00 175.76 175.62 3m85 n LEU 142 N 0.84 2.59 -3.71 0.00 4.77 -0.90 -4.56 117.00 116.04 3m85 n LEU 142 Ca 0.02 -0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 3m85 n LEU 142 Cb 0.39 -0.23 -0.18 0.00 -2.33 0.00 0.00 43.42 41.08 3m85 n LEU 142 CO 0.64 0.54 -0.35 -0.62 -1.33 0.00 0.00 177.39 176.26 3m85 s ASP 143 N -4.79 1.13 -0.36 -1.43 3.68 -0.69 -4.19 116.67 110.02 3m85 s ASP 143 Ca -0.09 0.03 -0.04 0.00 2.13 0.00 0.00 52.55 54.59 3m85 s ASP 143 Cb 0.03 -0.21 0.07 0.00 -1.45 0.00 0.00 42.92 41.36 3m85 s ASP 143 CO 0.15 -0.22 0.12 -0.62 0.13 0.00 0.00 175.17 174.73 3m85 s ASP 144 N 1.99 5.18 -0.24 -0.34 -1.08 -1.10 -1.06 116.67 120.02 3m85 s ASP 144 Ca 0.03 -1.55 0.12 0.00 -0.52 0.00 0.00 52.55 50.63 3m85 s ASP 144 Cb -0.12 -1.81 0.45 0.00 -1.46 0.00 0.00 42.92 39.98 3m85 s ASP 144 CO -0.03 -0.41 1.18 -0.67 0.52 0.00 0.00 175.17 175.76 3m85 n ASP 145 N 4.68 3.18 0.00 -0.34 4.64 -1.26 -4.89 116.55 122.56 3m85 n ASP 145 Ca -0.09 -3.37 0.00 0.00 -1.38 0.00 0.00 54.79 49.95 3m85 n ASP 145 Cb 0.43 -0.41 0.00 0.00 -1.04 0.00 0.00 41.12 40.10 3m85 n ASP 145 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3m85 n GLY 146 N -0.70 1.37 3.53 0.27 0.00 -1.26 -0.56 105.19 107.84 3m85 n GLY 146 Ca 0.28 -1.44 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 3m85 n GLY 146 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m85 n ASN 147 N -0.09 -1.80 0.16 1.61 4.05 -1.19 -4.68 115.26 113.33 3m85 n ASN 147 Ca 0.00 -0.70 0.14 0.00 0.45 0.00 0.00 54.58 54.47 3m85 n ASN 147 Cb 0.00 -4.71 0.71 0.00 1.23 0.00 0.00 39.78 37.00 3m85 n ASN 147 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3m85 h LEU 148 N -1.87 0.00 0.54 1.20 3.38 -1.94 -3.04 115.31 113.57 3m85 h LEU 148 Ca -0.60 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.34 3m85 h LEU 148 Cb 1.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.10 3m85 h LEU 148 CO 0.52 0.00 -0.26 0.25 0.09 0.00 0.00 178.44 179.05 3m85 h LEU 149 N 0.00 -0.61 -1.05 1.67 5.85 -1.96 -0.25 115.31 118.96 3m85 h LEU 149 Ca 0.10 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3m85 h LEU 149 Cb 0.43 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3m85 h LEU 149 CO -0.00 -0.36 0.14 0.44 -0.34 0.00 0.00 178.44 178.32 3m85 h ASP 150 N -0.83 0.76 -0.63 1.25 3.45 -1.82 -1.17 116.42 117.42 3m85 h ASP 150 Ca -0.07 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.25 3m85 h ASP 150 Cb 0.60 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 39.14 3m85 h ASP 150 CO 0.12 0.74 0.38 0.00 -1.57 0.00 0.00 179.24 178.91 3m85 h ALA 151 N 1.36 1.45 0.03 3.45 0.00 -1.42 -2.03 119.26 122.11 3m85 h ALA 151 Ca 0.18 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 3m85 h ALA 151 Cb 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3m85 h ALA 151 CO -0.00 0.47 -1.01 0.77 0.00 0.00 0.00 179.25 179.48 3m85 h SER 152 N 0.89 0.49 0.53 0.00 0.02 -0.01 -0.79 113.55 114.69 3m85 h SER 152 Ca 0.23 -0.42 -0.10 0.00 -0.84 0.00 0.00 61.79 60.66 3m85 h SER 152 Cb -0.02 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3m85 h SER 152 CO -0.04 1.24 -0.47 0.00 -1.14 0.00 0.00 176.83 176.42 3m85 h ALA 153 N 0.72 1.16 0.01 3.77 0.00 -1.06 -0.71 119.26 123.16 3m85 h ALA 153 Ca -0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3m85 h ALA 153 Cb 1.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3m85 h ALA 153 CO 0.17 0.59 -0.17 1.25 0.00 0.00 0.00 179.25 181.09 3m85 h LEU 154 N 0.00 0.13 -0.85 0.00 5.85 -1.23 -2.68 115.31 116.53 3m85 h LEU 154 Ca -0.00 -0.85 -0.07 0.00 0.84 0.00 0.00 57.88 57.80 3m85 h LEU 154 Cb 0.86 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3m85 h LEU 154 CO 0.06 0.97 0.08 0.00 -0.34 0.00 0.00 178.44 179.21 3m85 h ALA 155 N 0.17 1.05 0.68 1.25 0.00 -1.16 -2.02 119.26 119.23 3m85 h ALA 155 Ca -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3m85 h ALA 155 Cb 1.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3m85 h ALA 155 CO 0.03 0.61 -0.50 0.00 0.00 0.00 0.00 179.25 179.40 3m85 h ALA 156 N 1.20 -1.21 0.00 0.00 0.00 -1.14 0.62 119.26 118.73 3m85 h ALA 156 Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3m85 h ALA 156 Cb 0.40 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3m85 h ALA 156 CO 0.01 -1.21 -0.10 0.97 0.00 0.00 0.00 179.25 178.92 3m85 h ILE 157 N -1.13 0.74 -0.10 0.00 6.09 -1.47 -0.96 117.51 120.69 3m85 h ILE 157 Ca -0.09 -0.40 -0.04 0.00 -1.37 0.00 0.00 64.86 62.96 3m85 h ILE 157 Cb 0.93 1.24 -0.00 0.00 0.47 0.00 0.00 36.82 39.46 3m85 h ILE 157 CO 0.04 0.10 -0.09 0.00 -3.07 0.00 0.00 178.15 175.13 3m85 h ALA 158 N 1.90 0.14 0.37 0.18 0.00 -0.55 -2.49 119.26 118.80 3m85 h ALA 158 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3m85 h ALA 158 Cb 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3m85 h ALA 158 CO 0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 179.25 179.01 3m85 h ALA 159 N 0.58 -0.55 -0.98 0.00 0.00 0.15 -1.84 119.26 116.62 3m85 h ALA 159 Ca 0.02 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.05 3m85 h ALA 159 Cb 0.60 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 3m85 h ALA 159 CO 0.02 -0.82 0.56 -0.07 0.00 0.00 0.00 179.25 178.93 3m85 h LEU 160 N -0.56 0.62 0.00 0.00 3.38 -1.35 0.15 115.31 117.54 3m85 h LEU 160 Ca -0.04 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3m85 h LEU 160 Cb 0.46 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3m85 h LEU 160 CO 0.04 0.10 0.00 0.23 0.09 0.00 0.00 178.44 178.90 3m85 n MET 161 N -4.91 0.10 -2.17 1.13 2.81 -0.72 -1.43 117.12 111.93 3m85 n MET 161 Ca 0.26 0.20 -0.21 0.00 -1.81 0.00 0.00 57.70 56.13 3m85 n MET 161 Cb 0.71 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.74 3m85 n MET 161 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3m85 n ASN 162 N -1.41 4.47 -4.71 7.83 3.02 0.50 -4.99 115.26 119.98 3m85 n ASN 162 Ca 0.05 -3.54 -0.36 0.00 -0.03 0.00 0.00 54.58 50.70 3m85 n ASN 162 Cb 0.15 -0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 38.87 3m85 n ASN 162 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3m85 s THR 163 N -4.59 5.31 -0.23 3.41 2.01 -0.52 -4.05 115.64 116.99 3m85 s THR 163 Ca 0.48 0.46 -0.05 0.00 0.31 0.00 0.00 61.69 62.89 3m85 s THR 163 Cb 0.40 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 3m85 s THR 163 CO 0.01 0.36 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.53 3m85 s LYS 164 N 0.71 3.46 0.10 4.92 2.20 -1.02 -1.74 119.74 128.37 3m85 s LYS 164 Ca 0.14 -0.58 -0.31 0.00 -0.36 0.00 0.00 55.97 54.86 3m85 s LYS 164 Cb -0.13 -3.08 -0.08 0.00 -1.51 0.00 0.00 37.83 33.03 3m85 s LYS 164 CO 0.04 -0.18 1.45 0.08 -0.36 0.00 0.00 175.35 176.37 3m85 s VAL 165 N 1.48 3.24 -1.46 4.02 1.01 0.92 -4.81 120.40 124.80 3m85 s VAL 165 Ca 0.06 0.84 -0.08 0.00 0.00 0.00 0.00 61.98 62.80 3m85 s VAL 165 Cb -0.14 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.73 3m85 s VAL 165 CO -0.01 0.05 2.63 -0.81 0.00 0.00 0.00 175.10 176.95 3m85 n PRO 166 N 4.38 4.14 0.00 2.72 -0.05 -1.26 -3.65 135.00 141.28 3m85 n PRO 166 Ca 0.13 -2.89 0.00 0.00 -0.05 0.00 0.00 63.50 60.69 3m85 n PRO 166 Cb 0.42 -2.73 0.00 0.00 -0.05 0.00 0.00 33.50 31.14 3m85 n PRO 166 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3m85 n ALA 167 N 2.70 -0.04 -1.29 0.55 0.00 -1.26 -3.82 120.51 117.34 3m85 n ALA 167 Ca 0.69 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.76 3m85 n ALA 167 Cb 0.25 0.05 0.06 0.00 0.00 0.00 0.00 19.45 19.80 3m85 n ALA 167 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3m85 n GLU 168 N -0.77 0.30 0.00 0.00 -0.00 0.13 -0.49 120.64 119.81 3m85 n GLU 168 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.16 57.29 3m85 n GLU 168 Cb 0.00 -1.69 0.00 0.00 -0.00 0.00 0.00 31.44 29.75 3m85 n GLU 168 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3m85 n ARG 169 N -0.25 0.00 0.00 3.44 0.00 -1.26 -4.53 116.66 114.06 3m85 n ARG 169 Ca 0.10 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.04 3m85 n ARG 169 Cb 0.49 -0.44 -0.04 0.00 0.00 0.00 0.00 32.46 32.47 3m85 n ARG 169 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3m85 n PHE 170 N -1.06 0.00 -3.24 -0.14 3.01 0.35 -5.00 117.46 111.38 3m85 n PHE 170 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 3m85 n PHE 170 Cb 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.52 3m85 n PHE 170 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3m85 n ASP 171 N -0.55 -4.92 -0.29 4.37 8.00 -0.98 -4.94 116.55 117.24 3m85 n ASP 171 Ca 0.07 -0.37 0.03 0.00 0.71 0.00 0.00 54.79 55.22 3m85 n ASP 171 Cb 0.38 -3.60 0.07 0.00 -0.02 0.00 0.00 41.12 37.94 3m85 n ASP 171 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m85 n LEU 172 N -3.57 2.36 0.00 0.64 4.77 -1.16 -4.97 117.00 115.06 3m85 n LEU 172 Ca 0.00 -1.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 3m85 n LEU 172 Cb 0.54 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3m85 n LEU 172 CO 0.44 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 3m85 n GLY 173 N 0.00 0.60 3.93 -0.72 0.00 -1.26 -4.84 105.19 102.90 3m85 n GLY 173 Ca 0.05 -2.03 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 3m85 n GLY 173 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m85 s GLU 174 N -0.76 3.51 -0.06 1.61 2.12 -1.26 0.19 118.70 124.06 3m85 s GLU 174 Ca 0.00 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 3m85 s GLU 174 Cb 0.00 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 3m85 s GLU 174 CO 0.00 0.21 1.26 -0.51 -0.54 0.00 0.00 175.26 175.68 3m85 s ASP 175 N -3.74 6.99 0.38 -1.70 1.01 -1.26 -4.43 116.67 113.91 3m85 s ASP 175 Ca 0.40 1.87 0.05 0.00 0.71 0.00 0.00 52.55 55.58 3m85 s ASP 175 Cb -0.10 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.21 3m85 s ASP 175 CO 0.34 -0.64 0.04 -0.72 0.21 0.00 0.00 175.17 174.39 3m85 s TYR 176 N 2.44 2.21 0.17 4.23 1.13 -1.24 -4.94 117.35 121.34 3m85 s TYR 176 Ca 0.58 -0.84 -0.16 0.00 -1.41 0.00 0.00 57.07 55.23 3m85 s TYR 176 Cb -0.26 -1.52 -0.07 0.00 -1.10 0.00 0.00 41.96 39.01 3m85 s TYR 176 CO 0.22 0.21 0.61 -0.48 -2.51 0.00 0.00 175.55 173.59 3m85 s LEU 177 N -3.61 4.35 0.10 -3.49 -0.00 -1.26 -0.06 118.68 114.71 3m85 s LEU 177 Ca 0.34 1.19 -0.31 0.00 -0.00 0.00 0.00 54.13 55.35 3m85 s LEU 177 Cb 0.09 -3.35 -0.07 0.00 -0.00 0.00 0.00 46.19 42.85 3m85 s LEU 177 CO 0.16 0.09 1.35 -0.22 -0.00 0.00 0.00 176.35 177.73 3m85 s LEU 178 N -1.92 4.37 -0.91 1.48 0.20 -0.71 -4.88 118.68 116.31 3m85 s LEU 178 Ca 0.39 2.26 -0.24 0.00 0.69 0.00 0.00 54.13 57.22 3m85 s LEU 178 Cb -0.16 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 41.98 3m85 s LEU 178 CO 0.20 -0.61 1.90 -2.16 -0.29 0.00 0.00 176.35 175.39 3m85 s PRO 179 N 1.08 2.64 -0.20 0.98 0.04 -1.26 -4.93 135.00 133.36 3m85 s PRO 179 Ca 0.63 -0.34 -0.22 0.00 0.04 0.00 0.00 61.00 61.11 3m85 s PRO 179 Cb -0.35 -5.07 -0.02 0.00 0.04 0.00 0.00 34.50 29.09 3m85 s PRO 179 CO 0.30 -3.27 0.69 0.08 0.04 0.00 0.00 177.00 174.84 3m85 s VAL 180 N 9.63 4.98 -0.93 -0.36 1.01 -1.26 -2.63 120.40 130.84 3m85 s VAL 180 Ca 0.68 1.31 0.08 0.00 0.00 0.00 0.00 61.98 64.04 3m85 s VAL 180 Cb -0.06 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.40 3m85 s VAL 180 CO -0.01 0.08 0.80 -2.11 0.00 0.00 0.00 175.10 173.86 3m85 n ARG 181 N 5.18 0.44 -4.03 2.72 1.85 0.15 -5.01 116.66 117.96 3m85 n ARG 181 Ca 0.00 -1.08 -0.14 0.00 -1.00 0.00 0.00 57.85 55.63 3m85 n ARG 181 Cb 0.49 -1.15 -0.02 0.00 -1.05 0.00 0.00 32.46 30.73 3m85 n ARG 181 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3m85 s ASP 182 N -0.69 0.84 -0.42 2.89 3.68 -1.22 -4.98 116.67 116.76 3m85 s ASP 182 Ca 0.10 -1.47 0.06 0.00 2.13 0.00 0.00 52.55 53.36 3m85 s ASP 182 Cb 0.07 0.72 0.20 0.00 -1.45 0.00 0.00 42.92 42.46 3m85 s ASP 182 CO 0.10 -1.42 0.47 -0.11 0.13 0.00 0.00 175.17 174.35 3m85 n LEU 183 N -0.58 -0.85 -4.59 -1.34 7.94 -1.26 -4.91 117.00 111.41 3m85 n LEU 183 Ca -0.01 -4.21 -0.48 0.00 -1.11 0.00 0.00 56.01 50.20 3m85 n LEU 183 Cb 0.61 0.62 -0.04 0.00 0.53 0.00 0.00 43.42 45.14 3m85 n LEU 183 CO 0.30 1.94 0.74 -2.65 -1.11 0.00 0.00 177.39 176.61 3m85 n PRO 184 N 2.38 1.25 -4.05 1.96 -0.02 -1.26 -4.40 135.00 130.85 3m85 n PRO 184 Ca 0.25 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 62.03 3m85 n PRO 184 Cb 0.51 -1.95 -0.14 0.00 -0.02 0.00 0.00 33.50 31.90 3m85 n PRO 184 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3m85 s VAL 185 N -0.19 0.28 -0.07 -1.45 1.01 -0.90 -4.84 120.40 114.23 3m85 s VAL 185 Ca 0.72 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.51 3m85 s VAL 185 Cb -0.83 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3m85 s VAL 185 CO 0.52 0.02 -0.19 -0.94 0.00 0.00 0.00 175.10 174.51 3m85 s SER 186 N -0.24 2.49 -0.25 3.32 1.04 -1.26 -1.14 113.70 117.67 3m85 s SER 186 Ca -0.00 -0.43 -0.06 0.00 0.48 0.00 0.00 55.95 55.94 3m85 s SER 186 Cb -0.02 -0.95 -0.01 0.00 0.10 0.00 0.00 66.02 65.13 3m85 s SER 186 CO -0.00 0.14 0.03 -0.69 0.98 0.00 0.00 173.24 173.70 3m85 s VAL 187 N 0.26 3.86 -0.07 5.02 1.01 0.38 -4.67 120.40 126.19 3m85 s VAL 187 Ca -0.11 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 3m85 s VAL 187 Cb -0.15 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3m85 s VAL 187 CO 0.05 0.30 0.01 -0.89 0.00 0.00 0.00 175.10 174.57 3m85 s THR 188 N 1.53 4.34 -0.02 3.92 2.01 -1.26 -1.21 115.64 124.95 3m85 s THR 188 Ca 0.05 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.80 3m85 s THR 188 Cb -0.15 -2.84 -0.00 0.00 0.01 0.00 0.00 72.50 69.51 3m85 s THR 188 CO 0.01 0.57 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.97 3m85 s SER 189 N -0.99 1.30 -0.78 3.53 0.01 0.14 -1.37 113.70 115.53 3m85 s SER 189 Ca 0.14 -0.20 -0.26 0.00 1.31 0.00 0.00 55.95 56.94 3m85 s SER 189 Cb -0.11 -0.26 0.03 0.00 0.21 0.00 0.00 66.02 65.88 3m85 s SER 189 CO 0.04 0.10 1.37 -0.22 0.41 0.00 0.00 173.24 174.94 3m85 s LEU 190 N -0.01 3.23 0.27 2.44 0.20 -0.42 -0.92 118.68 123.48 3m85 s LEU 190 Ca -0.00 -0.58 -0.30 0.00 0.69 0.00 0.00 54.13 53.95 3m85 s LEU 190 Cb -0.07 -2.56 -0.10 0.00 -0.43 0.00 0.00 46.19 43.03 3m85 s LEU 190 CO 0.00 -1.84 1.39 -0.63 -0.29 0.00 0.00 176.35 174.98 3m85 s ILE 191 N 5.95 2.70 -0.05 6.68 1.09 -0.89 -1.36 121.20 135.33 3m85 s ILE 191 Ca 0.40 0.62 -0.02 0.00 -1.10 0.00 0.00 60.65 60.55 3m85 s ILE 191 Cb -0.07 -3.39 0.03 0.00 -1.06 0.00 0.00 42.46 37.97 3m85 s ILE 191 CO 0.11 0.11 0.08 -0.69 -0.10 0.00 0.00 174.94 174.45 3m85 s VAL 192 N -0.37 -0.11 0.00 2.92 1.01 0.70 -4.76 120.40 119.79 3m85 s VAL 192 Ca 0.56 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3m85 s VAL 192 Cb -0.41 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 35.80 3m85 s VAL 192 CO 0.46 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3m85 n GLY 193 N 4.79 2.54 0.40 4.51 0.00 -1.26 -0.44 105.19 115.73 3m85 n GLY 193 Ca -0.15 0.34 0.06 0.00 0.00 0.00 0.00 46.02 46.28 3m85 n GLY 193 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3m85 n ASN 194 N 4.88 2.78 -4.57 1.61 6.94 -1.26 -4.90 115.26 120.74 3m85 n ASN 194 Ca 0.00 -2.50 -0.24 0.00 -0.02 0.00 0.00 54.58 51.82 3m85 n ASN 194 Cb 0.00 -0.29 -0.09 0.00 -2.36 0.00 0.00 39.78 37.04 3m85 n ASN 194 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3m85 s LYS 195 N -1.88 1.94 0.09 -3.83 1.02 0.42 -4.97 119.74 112.53 3m85 s LYS 195 Ca 0.24 -1.73 0.06 0.00 0.02 0.00 0.00 55.97 54.56 3m85 s LYS 195 Cb 0.18 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 35.58 3m85 s LYS 195 CO 0.07 0.24 -0.16 1.52 -0.92 0.00 0.00 175.35 176.10 3m85 s TYR 196 N -2.50 1.46 -0.37 3.18 -0.85 -1.26 -0.21 117.35 116.80 3m85 s TYR 196 Ca 0.32 -0.47 0.03 0.00 -0.52 0.00 0.00 57.07 56.44 3m85 s TYR 196 Cb -0.02 -0.79 0.11 0.00 0.38 0.00 0.00 41.96 41.63 3m85 s TYR 196 CO 0.18 0.13 0.10 -0.51 -1.52 0.00 0.00 175.55 173.93 3m85 s LEU 197 N -1.97 4.14 0.29 -3.49 1.02 -0.46 -4.87 118.68 113.33 3m85 s LEU 197 Ca 0.04 -2.22 -0.30 0.00 0.02 0.00 0.00 54.13 51.66 3m85 s LEU 197 Cb -0.09 -1.46 -0.12 0.00 0.02 0.00 0.00 46.19 44.54 3m85 s LEU 197 CO 0.03 -0.36 1.53 0.52 0.02 0.00 0.00 176.35 178.10 3m85 n VAL 198 N 4.14 1.09 -3.17 -1.59 0.31 -0.08 -1.30 118.33 117.73 3m85 n VAL 198 Ca 0.03 -0.27 -0.12 0.00 -0.01 0.00 0.00 64.34 63.97 3m85 n VAL 198 Cb 0.40 -1.82 0.01 0.00 -0.91 0.00 0.00 33.84 31.52 3m85 n VAL 198 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3m85 n ASP 199 N 2.02 -7.09 -4.81 4.52 4.64 -0.47 -4.55 116.55 110.82 3m85 n ASP 199 Ca 0.09 -0.02 -0.33 0.00 -1.38 0.00 0.00 54.79 53.15 3m85 n ASP 199 Cb 0.35 -4.28 -0.02 0.00 -1.04 0.00 0.00 41.12 36.13 3m85 n ASP 199 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3m85 s PRO 200 N -3.10 3.68 0.30 -0.67 0.05 -1.25 -4.80 135.00 129.21 3m85 s PRO 200 Ca 0.14 1.23 0.08 0.00 0.05 0.00 0.00 61.00 62.49 3m85 s PRO 200 Cb -0.03 -2.08 -0.03 0.00 0.05 0.00 0.00 34.50 32.40 3m85 s PRO 200 CO 0.80 -0.52 0.21 -1.54 0.05 0.00 0.00 177.00 176.00 3m85 s SER 201 N -2.45 5.21 0.30 6.66 1.04 -1.26 -3.18 113.70 120.02 3m85 s SER 201 Ca 0.64 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.65 3m85 s SER 201 Cb -0.15 -1.07 0.76 0.00 0.10 0.00 0.00 66.02 65.66 3m85 s SER 201 CO 0.27 -0.20 1.67 -0.09 0.98 0.00 0.00 173.24 175.87 3m85 h ARG 202 N 1.44 0.28 -0.31 4.02 2.43 -1.10 0.14 114.38 121.29 3m85 h ARG 202 Ca -0.46 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 3m85 h ARG 202 Cb 1.25 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3m85 h ARG 202 CO 0.60 0.19 0.17 0.93 -1.51 0.00 0.00 179.97 180.35 3m85 h GLU 203 N 0.29 0.43 -0.05 0.20 4.39 -1.95 -2.34 114.58 115.56 3m85 h GLU 203 Ca 0.58 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.19 3m85 h GLU 203 Cb 1.16 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 3m85 h GLU 203 CO -0.60 0.36 -0.13 0.93 -1.16 0.00 0.00 179.01 178.41 3m85 h GLU 204 N 0.38 0.07 0.00 2.33 5.08 -1.16 -2.20 114.58 119.09 3m85 h GLU 204 Ca 0.11 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3m85 h GLU 204 Cb 0.06 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3m85 h GLU 204 CO -0.02 0.21 -0.01 0.52 -1.00 0.00 0.00 179.01 178.71 3m85 h MET 205 N 0.07 0.00 -1.06 2.33 2.86 -0.62 -1.84 114.93 116.66 3m85 h MET 205 Ca 0.01 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 57.93 3m85 h MET 205 Cb 0.28 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.84 3m85 h MET 205 CO 0.02 0.01 0.68 0.66 1.06 0.00 0.00 176.91 179.34 3m85 h SER 206 N 0.00 0.43 -0.97 1.22 4.64 -1.41 0.77 113.55 118.22 3m85 h SER 206 Ca -0.00 0.09 0.23 0.00 -0.47 0.00 0.00 61.79 61.64 3m85 h SER 206 Cb 0.11 0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 62.14 3m85 h SER 206 CO 0.00 0.06 0.63 0.58 -0.87 0.00 0.00 176.83 177.24 3m85 h VAL 207 N 0.37 0.62 0.00 0.95 2.07 -1.55 -3.45 116.25 115.26 3m85 h VAL 207 Ca 0.61 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.99 3m85 h VAL 207 Cb 1.59 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3m85 h VAL 207 CO -0.30 0.08 0.00 0.61 0.02 0.00 0.00 177.57 177.97 3m85 n GLY 208 N -1.50 4.03 2.29 2.17 0.00 0.27 -4.99 105.19 107.45 3m85 n GLY 208 Ca 0.22 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 3m85 n GLY 208 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m85 n ASP 209 N 0.00 6.05 -4.09 1.61 4.64 -1.26 -4.82 116.55 118.68 3m85 n ASP 209 Ca 0.00 -2.90 -0.36 0.00 -1.38 0.00 0.00 54.79 50.15 3m85 n ASP 209 Cb 0.00 -1.32 -0.10 0.00 -1.04 0.00 0.00 41.12 38.67 3m85 n ASP 209 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 3m85 s THR 210 N -0.83 3.69 0.49 5.18 -4.23 -1.26 -3.92 115.64 114.76 3m85 s THR 210 Ca 0.62 -2.96 0.06 0.00 -1.18 0.00 0.00 61.69 58.24 3m85 s THR 210 Cb 0.35 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.78 3m85 s THR 210 CO -0.13 -0.87 0.36 0.42 -0.54 0.00 0.00 174.62 173.86 3m85 s THR 211 N -0.06 2.05 -0.01 3.99 -4.23 0.13 -2.08 115.64 115.43 3m85 s THR 211 Ca 0.17 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3m85 s THR 211 Cb -0.20 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 71.12 3m85 s THR 211 CO -0.03 0.00 0.01 -0.22 -0.54 0.00 0.00 174.62 173.84 3m85 s LEU 212 N -4.18 1.57 -0.09 4.79 0.20 -0.09 -2.24 118.68 118.64 3m85 s LEU 212 Ca 0.39 0.02 0.02 0.00 0.69 0.00 0.00 54.13 55.25 3m85 s LEU 212 Cb -0.01 -0.03 0.01 0.00 -0.43 0.00 0.00 46.19 45.72 3m85 s LEU 212 CO 0.23 -0.06 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.20 3m85 s THR 213 N 0.50 1.39 -0.09 3.68 2.01 -0.06 0.24 115.64 123.32 3m85 s THR 213 Ca -0.04 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.38 3m85 s THR 213 Cb -0.06 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.19 3m85 s THR 213 CO -0.01 0.42 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.51 3m85 s ILE 214 N 0.76 1.65 -0.08 1.82 1.01 -0.35 -0.04 121.20 125.97 3m85 s ILE 214 Ca -0.12 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.78 3m85 s ILE 214 Cb -0.16 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 3m85 s ILE 214 CO 0.02 0.47 -0.16 -0.89 0.00 0.00 0.00 174.94 174.38 3m85 s THR 215 N 0.51 2.87 0.29 2.92 2.01 0.16 -0.47 115.64 123.92 3m85 s THR 215 Ca -0.17 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.13 3m85 s THR 215 Cb -0.17 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.14 3m85 s THR 215 CO 0.06 0.56 -0.03 0.42 -0.69 0.00 0.00 174.62 174.94 3m85 s THR 216 N -0.20 1.52 0.40 -0.82 -4.23 -0.29 -0.75 115.64 111.27 3m85 s THR 216 Ca -0.00 -2.09 0.06 0.00 -1.18 0.00 0.00 61.69 58.48 3m85 s THR 216 Cb -0.13 -2.52 0.06 0.00 1.34 0.00 0.00 72.50 71.25 3m85 s THR 216 CO 0.03 -0.24 0.53 -0.90 -0.54 0.00 0.00 174.62 173.50 3m85 n ASP 217 N -0.60 1.51 0.00 3.99 5.68 -0.75 -2.13 116.55 124.25 3m85 n ASP 217 Ca -0.05 -2.08 0.05 0.00 -0.50 0.00 0.00 54.79 52.22 3m85 n ASP 217 Cb 0.64 -0.27 0.26 0.00 -1.14 0.00 0.00 41.12 40.61 3m85 n ASP 217 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3m85 n LYS 218 N -1.83 0.15 -0.19 0.11 2.85 -1.26 -1.91 118.16 116.08 3m85 n LYS 218 Ca 0.10 0.19 0.05 0.00 -1.05 0.00 0.00 58.31 57.60 3m85 n LYS 218 Cb 0.41 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.44 3m85 n LYS 218 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3m85 n ASP 219 N -1.28 2.94 -0.85 -5.58 8.00 -1.26 -4.96 116.55 113.55 3m85 n ASP 219 Ca 0.05 -2.21 -0.11 0.00 0.71 0.00 0.00 54.79 53.23 3m85 n ASP 219 Cb 0.08 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 3m85 n ASP 219 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3m85 n ASP 220 N 0.14 -4.47 -4.77 -2.24 8.00 -0.80 -5.01 116.55 107.40 3m85 n ASP 220 Ca 0.12 0.28 -0.39 0.00 0.71 0.00 0.00 54.79 55.50 3m85 n ASP 220 Cb 0.49 -2.95 -0.04 0.00 -0.02 0.00 0.00 41.12 38.60 3m85 n ASP 220 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3m85 s ASN 221 N -2.81 7.08 0.10 -2.24 0.01 -1.26 -4.87 114.94 110.95 3m85 s ASN 221 Ca 0.00 2.21 -0.30 0.00 -0.71 0.00 0.00 52.86 54.06 3m85 s ASN 221 Cb 0.00 -2.61 -0.06 0.00 0.41 0.00 0.00 41.25 38.99 3m85 s ASN 221 CO 0.00 -0.27 1.02 -0.69 -1.51 0.00 0.00 177.10 175.65 3m85 s VAL 222 N -1.32 4.40 0.00 1.60 1.01 -1.26 -1.81 120.40 123.02 3m85 s VAL 222 Ca 0.49 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.38 3m85 s VAL 222 Cb -0.29 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.86 3m85 s VAL 222 CO 0.37 0.26 0.00 0.55 0.00 0.00 0.00 175.10 176.28 3m85 n VAL 223 N 3.03 0.00 -3.64 2.92 3.14 0.07 -4.94 118.33 118.91 3m85 n VAL 223 Ca 0.04 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.35 3m85 n VAL 223 Cb 0.49 0.25 -0.07 0.00 -1.06 0.00 0.00 33.84 33.45 3m85 n VAL 223 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3m85 s ALA 224 N -1.33 -2.00 0.10 1.55 0.00 -1.14 -4.82 121.76 114.13 3m85 s ALA 224 Ca 0.00 2.25 0.03 0.00 0.00 0.00 0.00 51.96 54.24 3m85 s ALA 224 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 3m85 s ALA 224 CO 0.00 -0.35 -0.08 -1.64 0.00 0.00 0.00 175.76 173.69 3m85 s MET 225 N 1.24 0.86 -0.29 0.00 -1.94 -1.26 0.37 119.30 118.27 3m85 s MET 225 Ca -0.07 -1.30 0.01 0.00 -1.71 0.00 0.00 55.69 52.62 3m85 s MET 225 Cb -0.05 -0.33 0.19 0.00 2.01 0.00 0.00 34.83 36.65 3m85 s MET 225 CO -0.14 0.02 0.58 -1.14 -0.01 0.00 0.00 175.02 174.33 3m85 s GLN 226 N -3.54 0.55 0.26 2.03 2.00 0.94 -4.98 119.66 116.92 3m85 s GLN 226 Ca 0.11 0.86 -0.24 0.00 -2.00 0.00 0.00 55.36 54.09 3m85 s GLN 226 Cb 0.03 0.41 -0.09 0.00 0.80 0.00 0.00 33.01 34.16 3m85 s GLN 226 CO -0.03 -0.73 0.83 0.21 -0.50 0.00 0.00 175.29 175.08 3m85 s LYS 227 N 2.83 4.47 -0.25 1.67 2.20 -1.26 -0.88 119.74 128.51 3m85 s LYS 227 Ca 0.18 1.13 -0.13 0.00 -0.36 0.00 0.00 55.97 56.80 3m85 s LYS 227 Cb -0.14 -2.93 0.08 0.00 -1.51 0.00 0.00 37.83 33.34 3m85 s LYS 227 CO -0.22 0.38 0.59 0.45 -0.36 0.00 0.00 175.35 176.19 3m85 s SER 228 N -1.53 -0.81 0.00 1.43 0.15 -0.95 -5.00 113.70 106.99 3m85 s SER 228 Ca 0.45 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.42 3m85 s SER 228 Cb -0.19 1.36 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 3m85 s SER 228 CO 0.23 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.06 3m85 n GLY 229 N 4.56 2.82 3.43 9.45 0.00 -1.25 0.23 105.19 124.43 3m85 n GLY 229 Ca -0.19 -2.08 -0.44 0.00 0.00 0.00 0.00 46.02 43.31 3m85 n GLY 229 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3m85 s GLY 230 N 0.00 2.13 0.16 -0.02 0.00 -1.26 -4.95 107.32 103.38 3m85 s GLY 230 Ca 0.00 -2.95 -0.24 0.00 0.00 0.00 0.00 44.72 41.53 3m85 s GLY 230 CO 0.00 1.88 0.68 -2.52 0.00 0.00 0.00 173.10 173.14 3m85 s TYR 231 N 2.06 -0.43 -0.22 1.90 -0.85 -1.26 -5.01 117.35 113.54 3m85 s TYR 231 Ca 0.32 0.18 -0.14 0.00 -0.52 0.00 0.00 57.07 56.91 3m85 s TYR 231 Cb -0.05 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 3m85 s TYR 231 CO -0.08 -0.88 0.33 -0.51 -1.52 0.00 0.00 175.55 172.89 3m85 s LEU 232 N -2.75 4.13 -0.22 -3.49 1.43 -1.26 -5.05 118.68 111.47 3m85 s LEU 232 Ca 0.04 0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 53.34 3m85 s LEU 232 Cb -0.02 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 3m85 s LEU 232 CO -0.08 -0.05 0.53 -0.22 0.23 0.00 0.00 176.35 176.76 3m85 s LEU 233 N 1.30 4.11 0.23 1.79 0.20 -1.26 -5.05 118.68 120.00 3m85 s LEU 233 Ca 0.16 0.63 -0.30 0.00 0.69 0.00 0.00 54.13 55.31 3m85 s LEU 233 Cb -0.14 -2.71 -0.09 0.00 -0.43 0.00 0.00 46.19 42.81 3m85 s LEU 233 CO 0.07 -0.24 1.33 -0.62 -0.29 0.00 0.00 176.35 176.60 3m85 s ASP 234 N 1.31 6.85 0.13 3.68 3.68 -1.26 -4.91 116.67 126.16 3m85 s ASP 234 Ca 0.23 2.49 -0.16 0.00 2.13 0.00 0.00 52.55 57.24 3m85 s ASP 234 Cb -0.15 -2.62 -0.01 0.00 -1.45 0.00 0.00 42.92 38.69 3m85 s ASP 234 CO 0.09 -0.55 1.70 -0.08 0.13 0.00 0.00 175.17 176.47 3m85 h GLU 235 N 4.96 0.57 -0.17 4.34 4.81 -1.98 0.77 114.58 127.89 3m85 h GLU 235 Ca -0.46 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 58.70 3m85 h GLU 235 Cb 1.22 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3m85 h GLU 235 CO 0.75 0.52 0.04 1.57 -0.73 0.00 0.00 179.01 181.17 3m85 h LYS 236 N 0.49 0.12 -0.39 1.92 2.10 -1.99 0.54 116.57 119.35 3m85 h LYS 236 Ca 0.13 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.81 3m85 h LYS 236 Cb 0.15 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 31.41 3m85 h LYS 236 CO -0.01 0.08 0.17 1.25 -2.00 0.00 0.00 179.45 178.94 3m85 h LEU 237 N 0.12 0.23 -0.68 7.07 6.46 -1.88 -0.66 115.31 125.96 3m85 h LEU 237 Ca 0.07 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3m85 h LEU 237 Cb 0.06 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 3m85 h LEU 237 CO -0.09 0.17 0.45 0.15 -0.62 0.00 0.00 178.44 178.50 3m85 h PHE 238 N 0.36 0.84 -0.65 1.25 3.57 0.23 -0.94 116.94 121.59 3m85 h PHE 238 Ca 0.17 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.73 3m85 h PHE 238 Cb 0.11 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 3m85 h PHE 238 CO -0.12 0.52 0.40 -0.44 -2.23 0.00 0.00 178.31 176.44 3m85 h ASP 239 N 0.90 0.64 0.19 0.41 3.32 0.79 -1.01 116.42 121.66 3m85 h ASP 239 Ca 0.26 0.01 -0.21 0.00 0.02 0.00 0.00 57.03 57.10 3m85 h ASP 239 Cb -0.08 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3m85 h ASP 239 CO -0.07 0.44 -0.84 -0.08 -1.72 0.00 0.00 179.24 176.97 3m85 h GLU 240 N 0.77 0.51 0.00 3.56 4.81 -0.71 -2.90 114.58 120.61 3m85 h GLU 240 Ca 0.27 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3m85 h GLU 240 Cb 0.05 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3m85 h GLU 240 CO -0.12 1.10 0.00 -0.11 -0.73 0.00 0.00 179.01 179.15 3m85 n LEU 241 N -3.83 0.63 -0.02 1.64 7.94 -0.40 -2.81 117.00 120.16 3m85 n LEU 241 Ca -0.06 0.62 -0.12 0.00 -1.11 0.00 0.00 56.01 55.34 3m85 n LEU 241 Cb 0.77 -0.48 -0.06 0.00 0.53 0.00 0.00 43.42 44.18 3m85 n LEU 241 CO 0.51 -0.39 0.81 0.25 -1.11 0.00 0.00 177.39 177.46 3m85 h LEU 242 N 0.00 0.14 -0.11 -1.96 6.46 -0.97 -2.23 115.31 116.64 3m85 h LEU 242 Ca 0.00 -0.19 -0.13 0.00 -0.12 0.00 0.00 57.88 57.44 3m85 h LEU 242 Cb 0.49 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 40.38 3m85 h LEU 242 CO 0.00 0.29 -0.44 0.44 -0.62 0.00 0.00 178.44 178.12 3m85 h ASP 243 N -0.02 0.57 -0.93 1.25 3.32 -1.58 -2.03 116.42 117.00 3m85 h ASP 243 Ca 0.03 -0.63 0.08 0.00 0.02 0.00 0.00 57.03 56.53 3m85 h ASP 243 Cb 0.20 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.51 3m85 h ASP 243 CO -0.00 1.10 0.59 0.58 -1.72 0.00 0.00 179.24 179.79 3m85 h VAL 244 N 0.07 1.03 -0.19 -1.35 2.07 -1.60 -2.20 116.25 114.07 3m85 h VAL 244 Ca -0.02 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 3m85 h VAL 244 Cb 1.07 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3m85 h VAL 244 CO 0.09 0.19 -0.33 0.28 0.02 0.00 0.00 177.57 177.82 3m85 h SER 245 N 1.04 0.62 -0.58 0.57 0.02 -1.29 -0.46 113.55 113.46 3m85 h SER 245 Ca 0.42 -0.53 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3m85 h SER 245 Cb 0.24 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 3m85 h SER 245 CO -0.20 1.03 0.34 0.40 -1.14 0.00 0.00 176.83 177.27 3m85 h ILE 246 N 0.22 1.04 0.08 3.27 2.04 -1.22 -0.71 117.51 122.24 3m85 h ILE 246 Ca 0.01 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3m85 h ILE 246 Cb 0.91 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3m85 h ILE 246 CO 0.07 0.12 -0.23 -1.13 0.00 0.00 0.00 178.15 176.98 3m85 h ASN 247 N 0.67 -0.66 -0.96 1.72 -0.73 -1.26 -1.88 115.58 112.48 3m85 h ASN 247 Ca 0.24 0.08 0.16 0.00 1.87 0.00 0.00 56.30 58.65 3m85 h ASN 247 Cb 0.06 0.26 -0.08 0.00 0.27 0.00 0.00 38.32 38.82 3m85 h ASN 247 CO -0.12 -0.31 0.61 0.00 -0.37 0.00 0.00 177.43 177.24 3m85 h ALA 249 N 1.60 1.54 -0.67 0.00 0.00 -0.35 -1.94 119.26 119.45 3m85 h ALA 249 Ca 0.50 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 3m85 h ALA 249 Cb 0.76 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3m85 h ALA 249 CO -0.27 0.36 0.21 0.00 0.00 0.00 0.00 179.25 179.55 3m85 h ARG 250 N 0.54 1.02 -0.19 0.00 3.08 -0.42 -2.40 114.38 116.00 3m85 h ARG 250 Ca 0.13 -0.20 -0.19 0.00 0.07 0.00 0.00 59.98 59.80 3m85 h ARG 250 Cb 0.12 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3m85 h ARG 250 CO -0.01 0.87 -0.62 0.87 -1.07 0.00 0.00 179.97 180.00 3m85 h LYS 251 N 0.98 0.68 -0.42 0.04 1.79 -1.17 -2.73 116.57 115.74 3m85 h LYS 251 Ca 0.22 -0.47 -0.11 0.00 -2.18 0.00 0.00 60.65 58.11 3m85 h LYS 251 Cb 0.28 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 3m85 h LYS 251 CO -0.01 1.09 -0.17 -0.07 -1.08 0.00 0.00 179.45 179.21 3m85 h LEU 252 N 0.50 0.80 -1.36 2.94 3.38 -1.30 -2.04 115.31 118.23 3m85 h LEU 252 Ca -0.01 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3m85 h LEU 252 Cb 1.21 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3m85 h LEU 252 CO 0.12 0.97 0.46 -0.09 0.09 0.00 0.00 178.44 179.99 3m85 h ARG 253 N 0.70 0.81 0.00 1.13 2.43 -1.38 -0.41 114.38 117.67 3m85 h ARG 253 Ca 0.11 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3m85 h ARG 253 Cb 0.68 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3m85 h ARG 253 CO 0.05 0.53 -0.01 0.93 -1.51 0.00 0.00 179.97 179.96 3m85 h GLU 254 N 0.83 0.00 0.00 0.20 5.08 -1.05 -0.71 114.58 118.94 3m85 h GLU 254 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3m85 h GLU 254 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3m85 h GLU 254 CO -0.08 0.01 0.00 1.63 -1.00 0.00 0.00 179.01 179.57 3m85 n LYS 255 N -3.23 0.42 0.08 2.33 5.02 -0.16 -3.23 118.16 119.39 3m85 n LYS 255 Ca -0.02 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 3m85 n LYS 255 Cb 0.13 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.66 3m85 n LYS 255 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3m85 n PHE 256 N -1.27 0.77 0.37 2.13 3.72 -0.27 -3.90 117.46 119.01 3m85 n PHE 256 Ca 0.13 0.22 -0.17 0.00 -0.05 0.00 0.00 57.45 57.59 3m85 n PHE 256 Cb 0.21 -0.82 -0.09 0.00 -0.94 0.00 0.00 39.48 37.84 3m85 n PHE 256 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3m85 h LYS 257 N 0.00 -0.90 -5.48 -1.08 1.57 -1.67 -3.48 116.57 105.52 3m85 h LYS 257 Ca 0.00 0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3m85 h LYS 257 Cb 0.93 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3m85 h LYS 257 CO 0.00 -0.58 -0.24 -1.91 -0.57 0.00 0.00 179.45 176.16 3m85 n GLU 258 N -5.45 -1.61 0.00 3.15 2.13 -1.25 -5.20 120.64 112.40 3m85 n GLU 258 Ca -0.13 1.60 0.04 0.00 0.66 0.00 0.00 57.16 59.33 3m85 n GLU 258 Cb 0.39 -5.39 0.04 0.00 0.27 0.00 0.00 31.44 26.74 3m85 n GLU 258 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83