#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m3d s LEU 7 N 0.00 2.54 -0.01 4.37 1.43 -1.26 0.40 118.68 126.15 1m3d s LEU 7 Ca 0.00 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1m3d s LEU 7 Cb 0.00 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.95 1m3d s LEU 7 CO 0.00 0.12 -0.01 0.54 0.23 0.00 0.00 176.35 177.23 1m3d s VAL 8 N -1.64 0.12 -0.07 -1.59 0.11 0.93 -4.84 120.40 113.43 1m3d s VAL 8 Ca 0.21 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.28 1m3d s VAL 8 Cb -0.08 -0.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1m3d s VAL 8 CO 0.11 0.07 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.90 1m3d s THR 9 N 0.29 3.00 0.02 5.04 2.01 -1.25 -0.32 115.64 124.42 1m3d s THR 9 Ca -0.03 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.29 1m3d s THR 9 Cb -0.05 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 1m3d s THR 9 CO -0.01 0.58 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.76 1m3d s ARG 10 N -0.47 1.00 -0.13 4.92 3.52 -0.35 -4.80 118.95 122.65 1m3d s ARG 10 Ca 0.06 -0.62 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 1m3d s ARG 10 Cb -0.12 -0.99 0.01 0.00 -1.56 0.00 0.00 34.95 32.29 1m3d s ARG 10 CO 0.02 0.26 -0.22 -1.01 -0.81 0.00 0.00 175.30 173.54 1m3d s HIS 11 N -0.59 2.61 0.23 5.12 3.76 -1.26 -0.71 115.29 124.44 1m3d s HIS 11 Ca 0.03 -1.28 0.06 0.00 -0.15 0.00 0.00 55.06 53.72 1m3d s HIS 11 Cb -0.07 -1.77 0.22 0.00 1.11 0.00 0.00 32.58 32.07 1m3d s HIS 11 CO 0.00 -0.58 1.53 0.66 -0.85 0.00 0.00 174.74 175.50 1m3d h SER 12 N 7.25 0.19 -1.40 1.40 4.64 -1.51 -3.46 113.55 120.66 1m3d h SER 12 Ca -0.31 -0.12 -0.28 0.00 -0.47 0.00 0.00 61.79 60.62 1m3d h SER 12 Cb 1.20 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.17 1m3d h SER 12 CO 0.54 0.80 -0.31 0.00 -0.87 0.00 0.00 176.83 176.99 1m3d n GLN 13 N -3.80 -1.04 -4.06 4.77 6.02 -1.26 -4.96 117.38 113.04 1m3d n GLN 13 Ca -0.02 0.81 -0.13 0.00 -0.01 0.00 0.00 57.00 57.65 1m3d n GLN 13 Cb 0.66 -5.00 -0.04 0.00 1.02 0.00 0.00 30.24 26.88 1m3d n GLN 13 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1m3d s THR 14 N -2.61 0.00 -1.18 5.09 -4.23 -1.26 -4.15 115.64 107.29 1m3d s THR 14 Ca 0.00 -1.56 0.26 0.00 -1.18 0.00 0.00 61.69 59.21 1m3d s THR 14 Cb 0.00 -2.55 0.32 0.00 1.34 0.00 0.00 72.50 71.61 1m3d s THR 14 CO 0.00 0.00 1.86 0.35 -0.54 0.00 0.00 174.62 176.29 1m3d n THR 15 N -0.50 0.19 -3.20 3.99 -2.24 -1.26 -1.84 114.28 109.42 1m3d n THR 15 Ca 0.00 0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.45 1m3d n THR 15 Cb 0.62 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 1m3d n THR 15 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1m3d s ASP 16 N -2.82 7.12 0.27 3.42 1.01 -1.26 -4.79 116.67 119.61 1m3d s ASP 16 Ca 0.18 1.35 -0.30 0.00 0.71 0.00 0.00 52.55 54.49 1m3d s ASP 16 Cb 0.17 -2.39 -0.10 0.00 1.01 0.00 0.00 42.92 41.61 1m3d s ASP 16 CO 0.44 0.22 1.49 -1.81 0.21 0.00 0.00 175.17 175.72 1m3d s ASP 17 N -1.23 6.56 0.59 0.27 1.01 -1.26 -4.53 116.67 118.07 1m3d s ASP 17 Ca 0.33 2.77 -0.14 0.00 0.71 0.00 0.00 52.55 56.22 1m3d s ASP 17 Cb -0.20 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.06 1m3d s ASP 17 CO 0.21 -0.77 1.02 -2.84 0.21 0.00 0.00 175.17 173.00 1m3d s PRO 18 N -0.53 3.57 0.07 8.23 0.02 -1.26 -4.99 135.00 140.11 1m3d s PRO 18 Ca 0.60 0.94 -0.05 0.00 0.02 0.00 0.00 61.00 62.51 1m3d s PRO 18 Cb -0.44 -2.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.95 1m3d s PRO 18 CO 0.46 -0.59 0.32 -0.65 -0.33 0.00 0.00 177.00 176.21 1m3d s GLN 19 N -4.55 3.60 0.30 5.54 -1.52 -1.26 -4.70 119.66 117.07 1m3d s GLN 19 Ca 0.58 -0.09 -0.29 0.00 -1.95 0.00 0.00 55.36 53.61 1m3d s GLN 19 Cb -0.12 -2.98 -0.10 0.00 -0.22 0.00 0.00 33.01 29.59 1m3d s GLN 19 CO 0.43 0.56 1.34 0.00 -0.25 0.00 0.00 175.29 177.37 1m3d s PRO 21 N -1.28 0.37 0.48 0.00 0.04 -1.26 -4.86 135.00 128.49 1m3d s PRO 21 Ca 0.52 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 1m3d s PRO 21 Cb -0.40 -1.67 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1m3d s PRO 21 CO 0.49 -2.99 1.24 -0.35 0.04 0.00 0.00 177.00 175.43 1m3d n PRO 22 N -4.46 1.69 -0.94 0.56 -0.04 -1.26 -2.36 135.00 128.19 1m3d n PRO 22 Ca 0.09 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1m3d n PRO 22 Cb 0.53 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1m3d n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1m3d n GLY 23 N 0.88 0.71 3.24 0.55 0.00 -1.26 -5.03 105.19 104.28 1m3d n GLY 23 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1m3d n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m3d s THR 24 N -2.78 1.46 -0.02 2.61 -4.23 -0.99 -4.29 115.64 107.40 1m3d s THR 24 Ca 0.00 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1m3d s THR 24 Cb 0.00 -1.35 -0.03 0.00 1.34 0.00 0.00 72.50 72.45 1m3d s THR 24 CO 0.00 -0.12 -0.02 -1.59 -0.54 0.00 0.00 174.62 172.35 1m3d s LYS 25 N -1.82 2.76 0.28 3.99 -2.85 -0.47 -4.76 119.74 116.87 1m3d s LYS 25 Ca 0.03 -0.60 -0.29 0.00 -1.00 0.00 0.00 55.97 54.11 1m3d s LYS 25 Cb -0.10 -2.65 -0.10 0.00 -2.06 0.00 0.00 37.83 32.93 1m3d s LYS 25 CO 0.03 0.63 1.18 -1.50 0.10 0.00 0.00 175.35 175.79 1m3d s ILE 26 N -1.02 3.26 -0.10 3.79 2.07 -1.26 0.20 121.20 128.15 1m3d s ILE 26 Ca 0.18 1.24 -0.10 0.00 -1.41 0.00 0.00 60.65 60.55 1m3d s ILE 26 Cb -0.11 -3.79 -0.05 0.00 0.13 0.00 0.00 42.46 38.64 1m3d s ILE 26 CO 0.08 0.28 -0.21 0.18 -1.91 0.00 0.00 174.94 173.36 1m3d n LEU 27 N 1.28 1.49 -3.59 8.50 4.32 0.30 -4.84 117.00 124.46 1m3d n LEU 27 Ca 0.00 0.24 -0.08 0.00 -0.02 0.00 0.00 56.01 56.15 1m3d n LEU 27 Cb 0.44 -0.56 -0.02 0.00 -1.62 0.00 0.00 43.42 41.66 1m3d n LEU 27 CO 0.56 -0.22 0.60 -0.72 -1.22 0.00 0.00 177.39 176.39 1m3d s TYR 28 N -2.48 -0.32 0.26 -1.77 -0.85 -1.16 -5.02 117.35 106.02 1m3d s TYR 28 Ca -0.19 0.09 0.10 0.00 -0.52 0.00 0.00 57.07 56.54 1m3d s TYR 28 Cb 0.04 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 1m3d s TYR 28 CO 0.27 -0.77 -0.06 -1.01 -1.52 0.00 0.00 175.55 172.47 1m3d s HIS 29 N -3.41 2.61 0.00 -3.49 3.76 -1.26 -1.26 115.29 112.24 1m3d s HIS 29 Ca 0.07 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1m3d s HIS 29 Cb -0.02 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.51 1m3d s HIS 29 CO -0.05 0.62 0.00 0.41 -0.85 0.00 0.00 174.74 174.87 1m3d n GLY 30 N -0.70 2.06 3.68 -2.22 0.00 -0.75 -4.57 105.19 102.68 1m3d n GLY 30 Ca -0.07 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1m3d n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1m3d s TYR 31 N -2.18 3.05 -0.78 1.61 1.51 0.15 -0.98 117.35 119.73 1m3d s TYR 31 Ca 0.00 0.06 -0.26 0.00 -1.01 0.00 0.00 57.07 55.86 1m3d s TYR 31 Cb 0.00 -1.65 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1m3d s TYR 31 CO 0.00 0.46 1.43 -1.12 -1.11 0.00 0.00 175.55 175.20 1m3d s SER 32 N -1.63 6.05 -0.24 2.29 0.01 -0.42 -1.54 113.70 118.24 1m3d s SER 32 Ca 0.20 -0.54 -0.22 0.00 1.31 0.00 0.00 55.95 56.71 1m3d s SER 32 Cb -0.11 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 1m3d s SER 32 CO 0.11 -1.89 0.68 -0.22 0.41 0.00 0.00 173.24 172.33 1m3d s LEU 33 N 6.26 4.09 -0.16 2.44 2.96 -0.02 -1.08 118.68 133.18 1m3d s LEU 33 Ca 0.43 0.83 -0.20 0.00 -0.22 0.00 0.00 54.13 54.98 1m3d s LEU 33 Cb -0.07 -2.95 -0.17 0.00 0.50 0.00 0.00 46.19 43.50 1m3d s LEU 33 CO 0.10 -0.38 0.33 0.25 -1.32 0.00 0.00 176.35 175.33 1m3d h LEU 34 N 8.79 0.00 -7.59 -0.68 5.85 -1.08 -3.41 115.31 117.19 1m3d h LEU 34 Ca -0.27 -0.54 0.23 0.00 0.84 0.00 0.00 57.88 58.14 1m3d h LEU 34 Cb 1.12 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 1m3d h LEU 34 CO 0.80 1.08 0.63 -0.72 -0.34 0.00 0.00 178.44 179.88 1m3d s TYR 35 N -2.18 -0.06 0.23 1.25 1.13 -1.06 -2.72 117.35 113.94 1m3d s TYR 35 Ca -0.19 -0.19 0.06 0.00 -1.41 0.00 0.00 57.07 55.33 1m3d s TYR 35 Cb 0.01 0.62 -0.05 0.00 -1.10 0.00 0.00 41.96 41.44 1m3d s TYR 35 CO 0.49 -0.65 -0.08 0.14 -2.51 0.00 0.00 175.55 172.95 1m3d s VAL 36 N -2.77 1.46 -0.19 -3.49 -7.23 -0.43 -0.06 120.40 107.69 1m3d s VAL 36 Ca 0.15 -2.12 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1m3d s VAL 36 Cb 0.00 -2.23 0.06 0.00 0.56 0.00 0.00 36.38 34.78 1m3d s VAL 36 CO 0.01 -0.45 0.04 -1.58 -0.31 0.00 0.00 175.10 172.81 1m3d s GLN 37 N -3.74 0.60 -0.10 4.82 0.74 -0.21 -0.66 119.66 121.12 1m3d s GLN 37 Ca 0.25 -0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.32 1m3d s GLN 37 Cb 0.03 -2.06 0.00 0.00 1.10 0.00 0.00 33.01 32.08 1m3d s GLN 37 CO 0.08 -0.64 -0.21 0.20 -0.55 0.00 0.00 175.29 174.18 1m3d s GLY 38 N 1.88 1.21 -1.50 2.59 0.00 -0.44 -1.30 107.32 109.77 1m3d s GLY 38 Ca -0.01 -0.86 -0.13 0.00 0.00 0.00 0.00 44.72 43.73 1m3d s GLY 38 CO -0.08 -0.18 1.00 -2.01 0.00 0.00 0.00 173.10 171.83 1m3d n ASN 39 N 3.66 -4.87 -0.22 1.64 4.05 -1.26 -1.28 115.26 116.98 1m3d n ASN 39 Ca -0.20 -0.75 -0.03 0.00 0.45 0.00 0.00 54.58 54.05 1m3d n ASN 39 Cb 0.53 -4.05 -0.01 0.00 1.23 0.00 0.00 39.78 37.47 1m3d n ASN 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1m3d n GLU 40 N -4.72 -0.94 -4.76 1.20 1.02 -1.26 -5.00 120.64 106.18 1m3d n GLU 40 Ca 0.02 0.42 -0.33 0.00 -0.02 0.00 0.00 57.16 57.25 1m3d n GLU 40 Cb 0.54 -4.23 -0.15 0.00 -0.02 0.00 0.00 31.44 27.57 1m3d n GLU 40 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1m3d s ARG 41 N -1.52 3.26 0.21 3.49 3.52 -0.40 -5.02 118.95 122.48 1m3d s ARG 41 Ca 0.00 -0.75 -0.22 0.00 -0.13 0.00 0.00 55.73 54.63 1m3d s ARG 41 Cb 0.00 -2.57 -0.08 0.00 -1.56 0.00 0.00 34.95 30.74 1m3d s ARG 41 CO 0.00 0.13 0.76 0.00 -0.81 0.00 0.00 175.30 175.38 1m3d s ALA 42 N 0.53 3.41 -0.13 6.12 0.00 -1.26 -1.32 121.76 129.11 1m3d s ALA 42 Ca -0.10 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 1m3d s ALA 42 Cb -0.16 -2.90 0.06 0.00 0.00 0.00 0.00 23.12 20.13 1m3d s ALA 42 CO 0.04 0.30 0.17 -1.58 0.00 0.00 0.00 175.76 174.69 1m3d s HIS 43 N -1.41 -0.15 0.49 0.00 2.46 0.16 -4.95 115.29 111.90 1m3d s HIS 43 Ca 0.41 0.35 0.07 0.00 0.47 0.00 0.00 55.06 56.36 1m3d s HIS 43 Cb -0.19 -0.36 0.04 0.00 -0.13 0.00 0.00 32.58 31.94 1m3d s HIS 43 CO 0.23 -0.41 0.67 0.20 -2.47 0.00 0.00 174.74 172.96 1m3d s GLY 44 N 2.28 1.87 -0.17 1.59 0.00 -1.26 -1.31 107.32 110.32 1m3d s GLY 44 Ca 0.04 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 43.01 1m3d s GLY 44 CO -0.08 -1.47 -0.07 1.20 0.00 0.00 0.00 173.10 172.68 1m3d s GLN 45 N -4.52 1.59 0.06 2.90 -1.52 -1.10 -4.97 119.66 112.10 1m3d s GLN 45 Ca 0.58 -0.56 -0.36 0.00 -1.95 0.00 0.00 55.36 53.07 1m3d s GLN 45 Cb -0.09 -2.06 -0.15 0.00 -0.22 0.00 0.00 33.01 30.49 1m3d s GLN 45 CO 0.36 -0.41 1.50 -3.47 -0.25 0.00 0.00 175.29 173.02 1m3d n ASP 46 N 4.84 2.36 0.12 5.90 -0.08 -1.26 -4.52 116.55 123.91 1m3d n ASP 46 Ca -0.13 1.09 0.08 0.00 -1.51 0.00 0.00 54.79 54.32 1m3d n ASP 46 Cb 0.48 -1.28 0.43 0.00 2.34 0.00 0.00 41.12 43.08 1m3d n ASP 46 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1m3d n LEU 47 N 3.42 0.41 -0.61 -2.67 4.77 -1.26 -0.74 117.00 120.31 1m3d n LEU 47 Ca 0.19 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.98 1m3d n LEU 47 Cb 0.23 -0.73 0.41 0.00 -2.33 0.00 0.00 43.42 40.99 1m3d n LEU 47 CO 0.65 -0.82 0.80 0.61 -1.33 0.00 0.00 177.39 177.30 1m3d n GLY 48 N -1.35 0.30 3.55 -0.72 0.00 -1.26 -4.41 105.19 101.30 1m3d n GLY 48 Ca -0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 1m3d n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m3d s THR 49 N -1.96 2.96 0.53 2.61 -4.23 0.08 -3.82 115.64 111.81 1m3d s THR 49 Ca 0.35 -2.04 0.42 0.00 -1.18 0.00 0.00 61.69 59.24 1m3d s THR 49 Cb 0.20 -2.54 0.42 0.00 1.34 0.00 0.00 72.50 71.93 1m3d s THR 49 CO 0.32 -0.31 2.28 0.00 -0.54 0.00 0.00 174.62 176.37 1m3d h ALA 50 N 2.35 1.00 0.00 3.99 0.00 -1.91 -1.77 119.26 122.91 1m3d h ALA 50 Ca -0.43 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1m3d h ALA 50 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1m3d h ALA 50 CO 0.58 0.00 -0.04 0.78 0.00 0.00 0.00 179.25 180.57 1m3d h GLY 51 N 0.18 0.00 -0.74 0.00 0.00 -1.94 -0.76 103.07 99.81 1m3d h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m3d h GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1m3d n SER 52 N -3.29 1.36 -3.85 0.19 3.41 -0.67 -4.62 113.62 106.14 1m3d n SER 52 Ca -0.02 -1.82 -0.30 0.00 -0.26 0.00 0.00 58.87 56.47 1m3d n SER 52 Cb 0.19 -0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 63.86 1m3d n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m3d s LEU 54 N 1.32 4.33 0.47 0.00 1.02 -0.59 -4.82 118.68 120.41 1m3d s LEU 54 Ca 0.10 0.63 0.15 0.00 0.02 0.00 0.00 54.13 55.02 1m3d s LEU 54 Cb -0.18 -2.39 1.07 0.00 0.02 0.00 0.00 46.19 44.71 1m3d s LEU 54 CO -0.18 0.20 2.04 0.03 0.02 0.00 0.00 176.35 178.46 1m3d h ARG 55 N 5.91 0.01 -5.51 1.70 3.08 -1.88 0.42 114.38 118.11 1m3d h ARG 55 Ca -0.46 -0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.08 1m3d h ARG 55 Cb 1.19 -0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.96 1m3d h ARG 55 CO 0.69 0.13 -0.82 0.15 -1.07 0.00 0.00 179.97 179.06 1m3d s LYS 56 N -4.77 1.20 0.05 0.04 1.02 -1.26 -4.70 119.74 111.32 1m3d s LYS 56 Ca -0.04 -0.66 -0.03 0.00 0.02 0.00 0.00 55.97 55.26 1m3d s LYS 56 Cb 0.16 -1.19 -0.04 0.00 -0.52 0.00 0.00 37.83 36.23 1m3d s LYS 56 CO 0.69 0.32 0.25 0.12 -0.92 0.00 0.00 175.35 175.81 1m3d s PHE 57 N -0.54 3.53 -0.27 3.18 5.36 -1.26 -4.88 117.98 123.10 1m3d s PHE 57 Ca 0.05 0.40 -0.25 0.00 -0.96 0.00 0.00 56.93 56.17 1m3d s PHE 57 Cb -0.07 -1.87 0.10 0.00 -0.34 0.00 0.00 43.02 40.84 1m3d s PHE 57 CO 0.00 0.58 0.92 0.45 -1.46 0.00 0.00 175.22 175.70 1m3d s SER 58 N -2.20 -0.56 0.48 6.13 0.15 -1.26 -5.01 113.70 111.44 1m3d s SER 58 Ca 0.33 1.05 0.33 0.00 0.70 0.00 0.00 55.95 58.36 1m3d s SER 58 Cb -0.13 1.06 1.55 0.00 -1.71 0.00 0.00 66.02 66.80 1m3d s SER 58 CO 0.23 -0.20 1.98 0.71 1.20 0.00 0.00 173.24 177.16 1m3d h THR 59 N 3.70 0.00 -2.40 6.45 1.35 -1.94 -3.28 112.91 116.78 1m3d h THR 59 Ca -0.28 -0.23 -0.58 0.00 -0.55 0.00 0.00 66.41 64.77 1m3d h THR 59 Cb 1.17 1.08 -0.38 0.00 -1.73 0.00 0.00 68.15 68.29 1m3d h THR 59 CO 0.10 0.00 -0.94 -0.32 -0.25 0.00 0.00 175.52 174.11 1m3d s MET 60 N -3.71 0.80 0.00 4.72 -2.45 -1.26 -4.06 119.30 113.34 1m3d s MET 60 Ca -0.01 -1.87 0.06 0.00 -1.25 0.00 0.00 55.69 52.62 1m3d s MET 60 Cb 0.10 -1.36 0.36 0.00 1.25 0.00 0.00 34.83 35.18 1m3d s MET 60 CO 0.42 -1.34 1.22 -0.35 1.05 0.00 0.00 175.02 176.02 1m3d n PRO 61 N 3.18 0.99 -4.14 4.11 -0.04 -1.24 -4.88 135.00 132.98 1m3d n PRO 61 Ca 0.25 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 1m3d n PRO 61 Cb 0.45 -1.10 -0.07 0.00 -0.04 0.00 0.00 33.50 32.74 1m3d n PRO 61 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1m3d s PHE 62 N -2.00 1.04 0.21 0.54 -0.71 -1.26 -5.09 117.98 110.71 1m3d s PHE 62 Ca 0.09 -1.25 -0.02 0.00 -1.04 0.00 0.00 56.93 54.71 1m3d s PHE 62 Cb 0.04 -0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 1m3d s PHE 62 CO 0.07 -0.86 0.19 -0.48 -1.34 0.00 0.00 175.22 172.80 1m3d s LEU 63 N -3.17 1.06 0.11 -1.99 0.05 -1.26 -4.53 118.68 108.95 1m3d s LEU 63 Ca 0.34 -1.34 0.05 0.00 0.05 0.00 0.00 54.13 53.22 1m3d s LEU 63 Cb 0.03 0.60 -0.04 0.00 -2.05 0.00 0.00 46.19 44.73 1m3d s LEU 63 CO 0.15 -0.90 -0.12 0.72 -0.55 0.00 0.00 176.35 175.65 1m3d s PHE 64 N -4.09 1.22 0.02 3.48 -0.12 -1.02 -5.00 117.98 112.48 1m3d s PHE 64 Ca 0.37 -0.61 0.04 0.00 -0.05 0.00 0.00 56.93 56.67 1m3d s PHE 64 Cb 0.06 -0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 41.78 1m3d s PHE 64 CO 0.12 0.07 -0.12 0.00 -0.05 0.00 0.00 175.22 175.24 1m3d s ASN 66 N -0.89 4.96 0.42 0.00 2.20 0.06 -4.96 114.94 116.74 1m3d s ASN 66 Ca 0.01 -0.95 0.29 0.00 -0.94 0.00 0.00 52.86 51.27 1m3d s ASN 66 Cb -0.07 0.16 1.49 0.00 -2.00 0.00 0.00 41.25 40.83 1m3d s ASN 66 CO 0.01 -1.12 1.88 0.16 -2.94 0.00 0.00 177.10 175.08 1m3d h ILE 67 N 0.53 0.00 -0.39 0.54 -0.00 -2.02 -0.95 117.51 115.22 1m3d h ILE 67 Ca -0.35 -0.07 0.00 0.00 -0.00 0.00 0.00 64.86 64.45 1m3d h ILE 67 Cb 1.29 0.75 0.00 0.00 -0.00 0.00 0.00 36.82 38.86 1m3d h ILE 67 CO 0.49 0.00 0.00 0.59 -0.00 0.00 0.00 178.15 179.23 1m3d n ASN 68 N -2.53 2.36 -2.54 2.16 3.02 -1.26 -4.90 115.26 111.57 1m3d n ASN 68 Ca -0.01 -2.08 -0.18 0.00 -0.03 0.00 0.00 54.58 52.28 1m3d n ASN 68 Cb 0.09 -0.32 0.04 0.00 -0.61 0.00 0.00 39.78 38.98 1m3d n ASN 68 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1m3d n ASN 69 N 0.62 -5.27 -4.24 6.41 4.05 -0.36 -5.01 115.26 111.46 1m3d n ASN 69 Ca 0.14 -0.26 -0.32 0.00 0.45 0.00 0.00 54.58 54.58 1m3d n ASN 69 Cb 0.40 -4.07 -0.17 0.00 1.23 0.00 0.00 39.78 37.17 1m3d n ASN 69 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1m3d s VAL 70 N -3.09 2.19 0.04 3.44 1.01 -1.25 -4.94 120.40 117.80 1m3d s VAL 70 Ca 0.28 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1m3d s VAL 70 Cb -0.12 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1m3d s VAL 70 CO 0.35 0.55 -0.07 0.00 0.00 0.00 0.00 175.10 175.93 1m3d s ASN 72 N -1.70 2.41 -0.16 0.00 0.01 0.17 -4.98 114.94 110.70 1m3d s ASN 72 Ca 0.19 -0.43 -0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1m3d s ASN 72 Cb -0.11 -1.10 -0.01 0.00 0.41 0.00 0.00 41.25 40.44 1m3d s ASN 72 CO 0.10 0.07 -0.13 0.12 -1.51 0.00 0.00 177.10 175.75 1m3d s PHE 73 N 0.66 2.82 -1.68 2.20 5.36 -1.26 -2.42 117.98 123.66 1m3d s PHE 73 Ca -0.13 -0.89 -0.16 0.00 -0.96 0.00 0.00 56.93 54.79 1m3d s PHE 73 Cb -0.16 -1.90 0.14 0.00 -0.34 0.00 0.00 43.02 40.75 1m3d s PHE 73 CO 0.04 -0.39 0.68 0.00 -1.46 0.00 0.00 175.22 174.09 1m3d n ALA 74 N 3.98 -1.39 0.17 11.12 0.00 -1.26 -4.84 120.51 128.29 1m3d n ALA 74 Ca -0.19 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.19 1m3d n ALA 74 Cb 0.52 -3.01 -0.01 0.00 0.00 0.00 0.00 19.45 16.95 1m3d n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1m3d n SER 75 N -2.69 0.49 0.00 0.00 7.64 -1.26 -4.81 113.62 112.99 1m3d n SER 75 Ca 0.01 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1m3d n SER 75 Cb 0.52 0.73 0.00 0.00 -1.01 0.00 0.00 64.21 64.45 1m3d n SER 75 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1m3d n ARG 76 N -0.73 0.00 -3.17 1.43 0.63 -1.26 -5.08 116.66 108.49 1m3d n ARG 76 Ca 0.01 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.75 1m3d n ARG 76 Cb 0.07 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.95 1m3d n ARG 76 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1m3d n ASN 77 N 0.00 1.15 -5.00 6.15 3.02 -1.26 -4.90 115.26 114.42 1m3d n ASN 77 Ca 0.00 -3.07 -0.18 0.00 -0.03 0.00 0.00 54.58 51.30 1m3d n ASN 77 Cb 0.00 -0.61 0.01 0.00 -0.61 0.00 0.00 39.78 38.56 1m3d n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1m3d s ASP 78 N -2.52 5.78 0.18 6.41 -0.00 -1.26 -4.88 116.67 120.38 1m3d s ASP 78 Ca 0.41 -0.30 0.04 0.00 -0.00 0.00 0.00 52.55 52.70 1m3d s ASP 78 Cb 0.34 -0.92 -0.05 0.00 -0.00 0.00 0.00 42.92 42.30 1m3d s ASP 78 CO -0.09 -0.64 -0.06 -0.31 -0.00 0.00 0.00 175.17 174.07 1m3d s TYR 79 N -2.30 1.40 -0.00 4.23 1.51 -0.42 -2.40 117.35 119.36 1m3d s TYR 79 Ca 0.51 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1m3d s TYR 79 Cb -0.10 -0.75 -0.00 0.00 -0.11 0.00 0.00 41.96 41.00 1m3d s TYR 79 CO 0.33 0.04 -0.03 -1.54 -1.11 0.00 0.00 175.55 173.24 1m3d s SER 80 N -3.23 0.32 -0.06 2.29 1.04 -0.78 -1.05 113.70 112.24 1m3d s SER 80 Ca 0.22 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.64 1m3d s SER 80 Cb 0.04 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 1m3d s SER 80 CO 0.04 0.03 -0.19 -0.31 0.98 0.00 0.00 173.24 173.79 1m3d s TYR 81 N -0.04 1.90 0.06 5.02 2.02 0.92 -1.01 117.35 126.22 1m3d s TYR 81 Ca 0.01 -0.61 0.05 0.00 -0.37 0.00 0.00 57.07 56.16 1m3d s TYR 81 Cb -0.01 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.24 1m3d s TYR 81 CO -0.00 -0.22 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.02 1m3d s TRP 82 N 0.13 1.32 0.37 2.71 0.52 -1.00 -0.49 118.94 122.50 1m3d s TRP 82 Ca -0.07 -0.40 -0.28 0.00 0.02 0.00 0.00 56.10 55.37 1m3d s TRP 82 Cb -0.13 -0.76 -0.10 0.00 -1.15 0.00 0.00 33.47 31.32 1m3d s TRP 82 CO 0.04 0.07 1.39 -1.17 0.02 0.00 0.00 176.95 177.29 1m3d s LEU 83 N -1.44 4.34 0.50 2.99 2.96 -0.24 -1.06 118.68 126.73 1m3d s LEU 83 Ca 0.01 2.86 0.06 0.00 -0.22 0.00 0.00 54.13 56.84 1m3d s LEU 83 Cb -0.09 -3.70 0.01 0.00 0.50 0.00 0.00 46.19 42.91 1m3d s LEU 83 CO 0.02 -0.76 0.34 -0.94 -1.32 0.00 0.00 176.35 173.69 1m3d s SER 84 N -0.36 4.64 0.58 3.68 1.04 0.20 -1.12 113.70 122.36 1m3d s SER 84 Ca 0.52 -1.15 0.08 0.00 0.48 0.00 0.00 55.95 55.89 1m3d s SER 84 Cb -0.43 0.08 0.08 0.00 0.10 0.00 0.00 66.02 65.85 1m3d s SER 84 CO 0.57 -0.91 0.68 0.42 0.98 0.00 0.00 173.24 174.98 1m3d s THR 85 N -2.69 1.85 -1.59 2.02 -4.23 -0.47 -4.49 115.64 106.04 1m3d s THR 85 Ca 0.37 -1.18 0.22 0.00 -1.18 0.00 0.00 61.69 59.92 1m3d s THR 85 Cb -0.01 -2.02 0.45 0.00 1.34 0.00 0.00 72.50 72.26 1m3d s THR 85 CO 0.22 0.00 1.71 -2.65 -0.54 0.00 0.00 174.62 173.35 1m3d n PRO 86 N -2.12 0.42 -1.62 3.99 -0.02 -1.26 -4.84 135.00 129.54 1m3d n PRO 86 Ca 0.10 0.06 -0.60 0.00 -2.02 0.00 0.00 63.50 61.04 1m3d n PRO 86 Cb 0.63 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.52 1m3d n PRO 86 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1m3d n GLU 87 N -1.21 0.70 -1.73 -0.52 4.07 -1.26 -4.86 120.64 115.82 1m3d n GLU 87 Ca 0.12 0.24 -0.38 0.00 -0.06 0.00 0.00 57.16 57.08 1m3d n GLU 87 Cb 0.15 -1.92 0.05 0.00 -0.06 0.00 0.00 31.44 29.66 1m3d n GLU 87 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1m3d n PRO 88 N 5.76 1.51 -2.41 5.31 -0.02 -1.26 -4.96 135.00 138.93 1m3d n PRO 88 Ca 0.34 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.97 1m3d n PRO 88 Cb 0.07 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 30.97 1m3d n PRO 88 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1m3d s MET 89 N -3.01 4.54 0.35 -0.52 -2.45 -1.26 -4.96 119.30 111.99 1m3d s MET 89 Ca 0.75 1.85 -0.27 0.00 -1.25 0.00 0.00 55.69 56.78 1m3d s MET 89 Cb -0.41 -3.22 -0.12 0.00 1.25 0.00 0.00 34.83 32.33 1m3d s MET 89 CO 0.47 0.02 1.06 -2.30 1.05 0.00 0.00 175.02 175.31 1m3d n PRO 90 N 1.99 1.50 -0.11 4.11 -0.02 -1.26 -4.86 135.00 136.34 1m3d n PRO 90 Ca 0.02 0.53 0.06 0.00 -2.02 0.00 0.00 63.50 62.09 1m3d n PRO 90 Cb 0.45 -2.01 0.39 0.00 -0.02 0.00 0.00 33.50 32.31 1m3d n PRO 90 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1m3d h MET 91 N 1.92 0.64 0.00 -0.52 4.05 -1.97 0.08 114.93 119.12 1m3d h MET 91 Ca -0.43 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1m3d h MET 91 Cb 1.33 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1m3d h MET 91 CO 0.59 0.42 -0.01 0.66 0.23 0.00 0.00 176.91 178.80 1m3d h SER 92 N 0.65 0.00 -0.29 1.39 4.64 -2.04 -3.45 113.55 114.45 1m3d h SER 92 Ca 0.26 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1m3d h SER 92 Cb 0.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 1m3d h SER 92 CO -0.07 0.01 -0.11 0.23 -0.87 0.00 0.00 176.83 176.02 1m3d n MET 93 N -3.14 -1.23 -2.72 4.77 0.00 0.01 -4.99 117.12 109.83 1m3d n MET 93 Ca -0.01 0.63 -0.29 0.00 0.00 0.00 0.00 57.70 58.03 1m3d n MET 93 Cb 0.22 -4.71 -0.02 0.00 0.00 0.00 0.00 33.22 28.71 1m3d n MET 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1m3d s ALA 94 N -1.83 3.34 0.50 3.04 0.00 -1.26 -5.00 121.76 120.55 1m3d s ALA 94 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 51.96 51.47 1m3d s ALA 94 Cb 0.00 -2.70 -0.09 0.00 0.00 0.00 0.00 23.12 20.33 1m3d s ALA 94 CO 0.00 -0.16 0.87 -2.30 0.00 0.00 0.00 175.76 174.17 1m3d n PRO 95 N -1.68 1.01 -3.77 0.00 -0.02 -1.26 -4.86 135.00 124.41 1m3d n PRO 95 Ca 0.02 0.37 -0.36 0.00 -2.02 0.00 0.00 63.50 61.51 1m3d n PRO 95 Cb 0.54 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 1m3d n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1m3d s ILE 96 N -1.44 5.35 0.09 4.25 1.01 0.12 -4.87 121.20 125.70 1m3d s ILE 96 Ca 0.68 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1m3d s ILE 96 Cb -0.50 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1m3d s ILE 96 CO 0.54 0.52 -0.02 0.42 0.00 0.00 0.00 174.94 176.40 1m3d s THR 97 N -1.14 0.37 0.00 2.92 -4.23 -1.26 -0.89 115.64 111.42 1m3d s THR 97 Ca 0.21 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1m3d s THR 97 Cb -0.13 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1m3d s THR 97 CO 0.10 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 1m3d n GLY 98 N -0.00 2.95 0.26 3.99 0.00 -1.25 -2.31 105.19 108.83 1m3d n GLY 98 Ca -0.11 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1m3d n GLY 98 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1m3d h GLU 99 N 0.00 0.00 0.00 1.61 4.57 -1.99 -2.37 114.58 116.40 1m3d h GLU 99 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1m3d h GLU 99 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1m3d h GLU 99 CO 0.00 0.11 0.00 0.09 -1.18 0.00 0.00 179.01 178.03 1m3d n ASN 100 N -3.71 0.09 0.08 1.04 3.02 -0.98 -2.04 115.26 112.76 1m3d n ASN 100 Ca -0.02 0.53 -0.14 0.00 -0.03 0.00 0.00 54.58 54.92 1m3d n ASN 100 Cb 0.22 -0.55 -0.07 0.00 -0.61 0.00 0.00 39.78 38.77 1m3d n ASN 100 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1m3d h ILE 101 N 0.00 1.43 -0.93 2.41 1.08 -1.53 -3.37 117.51 116.60 1m3d h ILE 101 Ca 0.00 -2.62 0.19 0.00 -0.39 0.00 0.00 64.86 62.04 1m3d h ILE 101 Cb 0.13 2.57 -0.18 0.00 -3.07 0.00 0.00 36.82 36.27 1m3d h ILE 101 CO 0.00 0.77 -0.24 -0.09 -0.69 0.00 0.00 178.15 177.91 1m3d h ARG 102 N 0.18 -0.00 0.00 2.37 2.43 -1.60 -0.39 114.38 117.37 1m3d h ARG 102 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1m3d h ARG 102 Cb 1.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1m3d h ARG 102 CO 0.17 -0.00 0.00 -2.30 -1.51 0.00 0.00 179.97 176.33 1m3d n PRO 103 N -5.59 0.12 0.02 0.20 -0.02 -1.26 -2.50 135.00 125.97 1m3d n PRO 103 Ca 0.14 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.33 1m3d n PRO 103 Cb 0.47 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1m3d n PRO 103 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1m3d n PHE 104 N -2.14 0.18 -3.31 6.00 3.01 -0.16 -4.57 117.46 116.48 1m3d n PHE 104 Ca -0.01 0.05 -0.38 0.00 1.01 0.00 0.00 57.45 58.12 1m3d n PHE 104 Cb 0.05 -0.35 -0.07 0.00 -0.01 0.00 0.00 39.48 39.10 1m3d n PHE 104 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1m3d s ILE 105 N -3.17 5.16 0.57 4.37 1.01 -1.04 -1.37 121.20 126.73 1m3d s ILE 105 Ca 0.04 0.88 -0.19 0.00 0.00 0.00 0.00 60.65 61.39 1m3d s ILE 105 Cb 0.15 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1m3d s ILE 105 CO 0.81 0.25 1.13 -0.55 0.00 0.00 0.00 174.94 176.58 1m3d s SER 106 N 0.95 5.56 0.30 3.58 0.15 -0.28 -4.42 113.70 119.54 1m3d s SER 106 Ca 0.23 2.16 0.07 0.00 0.70 0.00 0.00 55.95 59.11 1m3d s SER 106 Cb -0.15 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 1m3d s SER 106 CO 0.09 -1.33 0.31 -0.13 1.20 0.00 0.00 173.24 173.38 1m3d s ARG 107 N -3.44 2.93 0.18 5.44 1.81 -0.77 -1.30 118.95 123.81 1m3d s ARG 107 Ca 0.72 -1.12 -0.06 0.00 -1.72 0.00 0.00 55.73 53.55 1m3d s ARG 107 Cb -0.24 -2.61 -0.02 0.00 -0.45 0.00 0.00 34.95 31.63 1m3d s ARG 107 CO 0.30 0.21 0.24 0.00 -0.68 0.00 0.00 175.30 175.37 1m3d s ALA 109 N -4.04 0.22 -0.20 0.00 0.00 0.11 -1.81 121.76 116.04 1m3d s ALA 109 Ca 0.25 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.18 1m3d s ALA 109 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1m3d s ALA 109 CO 0.05 -0.00 -0.01 0.08 0.00 0.00 0.00 175.76 175.88 1m3d s VAL 110 N 0.36 3.81 0.12 0.00 1.01 -0.39 -1.21 120.40 124.10 1m3d s VAL 110 Ca -0.03 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1m3d s VAL 110 Cb -0.06 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1m3d s VAL 110 CO -0.01 0.43 -0.18 0.00 0.00 0.00 0.00 175.10 175.35 1m3d s GLU 112 N -2.34 4.17 0.15 0.00 2.12 0.13 -0.05 118.70 122.89 1m3d s GLU 112 Ca 0.09 0.03 0.06 0.00 0.36 0.00 0.00 54.97 55.51 1m3d s GLU 112 Cb -0.07 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1m3d s GLU 112 CO 0.04 0.08 0.02 0.00 -0.54 0.00 0.00 175.26 174.86 1m3d s ALA 113 N 0.96 3.27 -0.72 6.30 0.00 0.16 -1.37 121.76 130.36 1m3d s ALA 113 Ca 0.15 -1.28 0.26 0.00 0.00 0.00 0.00 51.96 51.08 1m3d s ALA 113 Cb -0.14 -1.09 0.82 0.00 0.00 0.00 0.00 23.12 22.71 1m3d s ALA 113 CO 0.05 0.54 1.78 -0.35 0.00 0.00 0.00 175.76 177.78 1m3d n PRO 114 N 0.02 0.26 -4.06 0.00 -0.04 -1.26 -3.03 135.00 126.89 1m3d n PRO 114 Ca -0.10 0.22 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1m3d n PRO 114 Cb 0.54 -1.81 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1m3d n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m3d s ALA 115 N -3.11 0.32 0.54 0.55 0.00 -1.26 -4.91 121.76 113.89 1m3d s ALA 115 Ca 0.10 -1.22 -0.18 0.00 0.00 0.00 0.00 51.96 50.66 1m3d s ALA 115 Cb 0.12 1.14 -0.06 0.00 0.00 0.00 0.00 23.12 24.33 1m3d s ALA 115 CO 0.59 -0.79 1.06 -1.64 0.00 0.00 0.00 175.76 174.98 1m3d s MET 116 N -3.69 3.51 0.03 0.00 -1.94 -1.26 -4.81 119.30 111.14 1m3d s MET 116 Ca 0.28 1.35 0.07 0.00 -1.71 0.00 0.00 55.69 55.68 1m3d s MET 116 Cb 0.01 -2.05 -0.02 0.00 2.01 0.00 0.00 34.83 34.77 1m3d s MET 116 CO 0.13 -0.67 -0.21 0.08 -0.01 0.00 0.00 175.02 174.34 1m3d s VAL 117 N -2.13 1.71 0.25 -6.03 1.01 -1.26 -1.93 120.40 112.03 1m3d s VAL 117 Ca 0.67 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1m3d s VAL 117 Cb -0.18 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1m3d s VAL 117 CO 0.28 0.30 0.21 0.00 0.00 0.00 0.00 175.10 175.88 1m3d s MET 118 N -0.99 1.44 0.01 2.72 0.23 -0.07 -4.81 119.30 117.83 1m3d s MET 118 Ca 0.08 -1.76 0.06 0.00 -1.03 0.00 0.00 55.69 53.04 1m3d s MET 118 Cb -0.09 0.30 -0.02 0.00 -1.53 0.00 0.00 34.83 33.50 1m3d s MET 118 CO 0.01 -0.51 -0.20 0.00 -2.03 0.00 0.00 175.02 172.30 1m3d s ALA 119 N -3.86 1.64 0.06 3.16 0.00 -0.31 -0.61 121.76 121.84 1m3d s ALA 119 Ca 0.39 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.49 1m3d s ALA 119 Cb 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1m3d s ALA 119 CO 0.18 0.38 -0.19 0.14 0.00 0.00 0.00 175.76 176.27 1m3d s VAL 120 N -0.63 1.55 -0.01 0.00 -7.23 -0.43 -4.52 120.40 109.14 1m3d s VAL 120 Ca 0.07 -1.27 0.07 0.00 -1.81 0.00 0.00 61.98 59.04 1m3d s VAL 120 Cb -0.08 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 1m3d s VAL 120 CO 0.01 0.07 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.65 1m3d s HIS 121 N -0.94 1.89 -0.11 2.82 3.76 -1.26 -1.60 115.29 119.85 1m3d s HIS 121 Ca 0.06 -0.36 0.16 0.00 -0.15 0.00 0.00 55.06 54.76 1m3d s HIS 121 Cb -0.09 -1.20 -0.23 0.00 1.11 0.00 0.00 32.58 32.17 1m3d s HIS 121 CO 0.02 -0.01 0.48 -1.13 -0.85 0.00 0.00 174.74 173.25 1m3d n SER 122 N 2.43 0.53 -1.93 1.40 3.41 -0.71 -4.90 113.62 113.85 1m3d n SER 122 Ca -0.16 0.25 -0.16 0.00 -0.26 0.00 0.00 58.87 58.54 1m3d n SER 122 Cb 0.53 0.45 -0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1m3d n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m3d n GLN 123 N -2.87 -1.63 -4.04 4.33 6.02 -1.26 -4.91 117.38 113.01 1m3d n GLN 123 Ca -0.20 0.78 -0.12 0.00 -0.01 0.00 0.00 57.00 57.45 1m3d n GLN 123 Cb 1.03 -5.20 -0.04 0.00 1.02 0.00 0.00 30.24 27.05 1m3d n GLN 123 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1m3d s THR 124 N -2.84 0.00 -1.56 5.09 -4.23 -1.26 0.13 115.64 110.96 1m3d s THR 124 Ca 0.03 -1.51 0.27 0.00 -1.18 0.00 0.00 61.69 59.30 1m3d s THR 124 Cb -0.01 -2.52 0.54 0.00 1.34 0.00 0.00 72.50 71.85 1m3d s THR 124 CO 0.04 0.00 1.94 2.30 -0.54 0.00 0.00 174.62 178.35 1m3d n ILE 125 N -0.49 0.10 -3.40 2.99 -5.35 -1.26 -2.33 119.36 109.62 1m3d n ILE 125 Ca -0.01 0.03 -0.31 0.00 -0.27 0.00 0.00 62.75 62.19 1m3d n ILE 125 Cb 0.62 -0.58 -0.05 0.00 -1.74 0.00 0.00 39.64 37.88 1m3d n ILE 125 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1m3d s GLN 126 N -2.44 3.76 -0.07 6.28 -1.52 -1.26 -4.87 119.66 119.53 1m3d s GLN 126 Ca 0.29 0.21 -0.26 0.00 -1.95 0.00 0.00 55.36 53.64 1m3d s GLN 126 Cb 0.18 -2.65 -0.03 0.00 -0.22 0.00 0.00 33.01 30.30 1m3d s GLN 126 CO 0.39 0.29 0.85 0.42 -0.25 0.00 0.00 175.29 176.99 1m3d s ILE 127 N -1.88 4.93 0.39 1.08 1.01 -1.26 -4.41 121.20 121.07 1m3d s ILE 127 Ca 0.46 1.73 -0.26 0.00 0.00 0.00 0.00 60.65 62.59 1m3d s ILE 127 Cb -0.11 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.10 1m3d s ILE 127 CO 0.23 0.15 1.27 -2.16 0.00 0.00 0.00 174.94 174.43 1m3d s PRO 128 N 1.31 4.04 0.47 2.79 0.04 -1.26 -4.99 135.00 137.39 1m3d s PRO 128 Ca 0.43 2.08 -0.21 0.00 0.04 0.00 0.00 61.00 63.34 1m3d s PRO 128 Cb -0.18 -2.78 -0.09 0.00 0.04 0.00 0.00 34.50 31.49 1m3d s PRO 128 CO 0.20 -0.41 1.02 -0.65 0.04 0.00 0.00 177.00 177.20 1m3d s GLN 129 N -2.19 3.92 0.40 4.56 -0.21 -1.26 -4.64 119.66 120.24 1m3d s GLN 129 Ca 0.56 1.31 -0.23 0.00 0.02 0.00 0.00 55.36 57.02 1m3d s GLN 129 Cb -0.36 -2.13 -0.10 0.00 1.00 0.00 0.00 33.01 31.41 1m3d s GLN 129 CO 0.47 -0.32 0.97 0.00 -2.12 0.00 0.00 175.29 174.29 1m3d n PRO 131 N -0.26 0.43 -1.69 0.00 -0.02 -1.26 -4.83 135.00 127.37 1m3d n PRO 131 Ca 0.06 0.21 -0.44 0.00 -2.02 0.00 0.00 63.50 61.31 1m3d n PRO 131 Cb 0.52 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 1m3d n PRO 131 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1m3d n THR 132 N -2.88 0.23 -0.02 3.45 -1.04 -1.26 -1.09 114.28 111.68 1m3d n THR 132 Ca 0.14 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1m3d n THR 132 Cb 0.50 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 1m3d n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1m3d n GLY 133 N 3.96 0.36 3.59 3.41 0.00 -1.26 -5.07 105.19 110.18 1m3d n GLY 133 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1m3d n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1m3d s TRP 134 N -2.06 2.75 0.08 1.61 0.52 -0.25 -3.22 118.94 118.37 1m3d s TRP 134 Ca 0.00 -0.16 0.08 0.00 0.02 0.00 0.00 56.10 56.05 1m3d s TRP 134 Cb 0.00 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.87 1m3d s TRP 134 CO 0.00 0.45 -0.20 -1.12 0.02 0.00 0.00 176.95 176.10 1m3d s SER 135 N -2.39 3.71 0.17 2.95 0.01 0.95 -4.74 113.70 114.37 1m3d s SER 135 Ca 0.23 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 1m3d s SER 135 Cb -0.11 -0.51 -0.07 0.00 0.21 0.00 0.00 66.02 65.54 1m3d s SER 135 CO 0.15 0.22 1.10 -0.55 0.41 0.00 0.00 173.24 174.57 1m3d s SER 136 N -1.73 7.27 -0.20 2.44 0.15 -1.26 -0.38 113.70 119.98 1m3d s SER 136 Ca 0.15 2.08 0.04 0.00 0.70 0.00 0.00 55.95 58.92 1m3d s SER 136 Cb -0.10 -2.60 -0.15 0.00 -1.71 0.00 0.00 66.02 61.46 1m3d s SER 136 CO 0.07 -0.23 -0.15 0.18 1.20 0.00 0.00 173.24 174.31 1m3d n LEU 137 N 2.44 2.52 -3.63 3.45 4.77 0.63 -4.92 117.00 122.26 1m3d n LEU 137 Ca 0.03 -0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 55.89 1m3d n LEU 137 Cb 0.46 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1m3d n LEU 137 CO 0.54 0.78 0.92 -1.66 -1.33 0.00 0.00 177.39 176.64 1m3d s TRP 138 N -2.42 -0.13 0.25 -1.77 -2.14 -1.20 -4.88 118.94 106.66 1m3d s TRP 138 Ca -0.25 -0.02 0.08 0.00 2.66 0.00 0.00 56.10 58.57 1m3d s TRP 138 Cb 0.07 0.56 -0.05 0.00 -3.10 0.00 0.00 33.47 30.95 1m3d s TRP 138 CO 0.51 -0.43 -0.12 0.96 -2.66 0.00 0.00 176.95 175.21 1m3d s ILE 139 N -2.73 1.87 0.00 0.66 -0.00 -1.26 -0.26 121.20 119.49 1m3d s ILE 139 Ca 0.11 -2.22 0.00 0.00 -0.00 0.00 0.00 60.65 58.54 1m3d s ILE 139 Cb 0.01 -2.25 0.00 0.00 -0.00 0.00 0.00 42.46 40.22 1m3d s ILE 139 CO -0.03 -0.44 0.00 0.61 -0.00 0.00 0.00 174.94 175.07 1m3d n GLY 140 N -0.51 1.92 3.28 6.27 0.00 -0.35 -4.48 105.19 111.33 1m3d n GLY 140 Ca -0.06 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1m3d n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1m3d s TYR 141 N -0.56 2.20 -0.57 1.61 1.51 0.49 -1.71 117.35 120.32 1m3d s TYR 141 Ca 0.00 -0.43 -0.27 0.00 -1.01 0.00 0.00 57.07 55.36 1m3d s TYR 141 Cb 0.00 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1m3d s TYR 141 CO 0.00 -0.05 1.94 -1.12 -1.11 0.00 0.00 175.55 175.21 1m3d s SER 142 N -0.54 5.19 -0.30 2.29 0.01 -0.72 -2.16 113.70 117.47 1m3d s SER 142 Ca 0.08 0.52 -0.15 0.00 1.31 0.00 0.00 55.95 57.72 1m3d s SER 142 Cb -0.10 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1m3d s SER 142 CO -0.01 -2.40 0.35 0.12 0.41 0.00 0.00 173.24 171.71 1m3d s PHE 143 N 9.37 3.23 -0.25 2.43 5.36 0.53 -1.71 117.98 136.94 1m3d s PHE 143 Ca 0.73 0.21 -0.15 0.00 -0.96 0.00 0.00 56.93 56.76 1m3d s PHE 143 Cb -0.14 -2.59 -0.11 0.00 -0.34 0.00 0.00 43.02 39.85 1m3d s PHE 143 CO 0.22 -0.30 -0.34 0.28 -1.46 0.00 0.00 175.22 173.63 1m3d n VAL 144 N 5.16 1.52 -3.50 3.12 0.31 -0.19 -4.41 118.33 120.34 1m3d n VAL 144 Ca -0.09 -0.24 -0.06 0.00 -0.01 0.00 0.00 64.34 63.95 1m3d n VAL 144 Cb 0.50 -2.01 0.02 0.00 -0.91 0.00 0.00 33.84 31.44 1m3d n VAL 144 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1m3d n MET 145 N -4.31 0.71 -3.46 5.55 0.00 -1.12 -1.00 117.12 113.48 1m3d n MET 145 Ca -0.43 -1.38 -0.11 0.00 0.00 0.00 0.00 57.70 55.77 1m3d n MET 145 Cb 0.78 1.73 -0.02 0.00 0.00 0.00 0.00 33.22 35.71 1m3d n MET 145 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1m3d s HIS 146 N -4.70 -0.48 0.03 3.17 -3.43 -0.77 -0.44 115.29 108.68 1m3d s HIS 146 Ca 0.10 0.35 -0.04 0.00 -0.80 0.00 0.00 55.06 54.68 1m3d s HIS 146 Cb -0.03 0.54 -0.02 0.00 -1.43 0.00 0.00 32.58 31.64 1m3d s HIS 146 CO 0.07 -0.72 0.05 0.95 -2.00 0.00 0.00 174.74 173.09 1m3d s THR 147 N -3.29 0.14 0.00 -5.38 -4.23 -0.86 -2.72 115.64 99.29 1m3d s THR 147 Ca 0.01 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1m3d s THR 147 Cb -0.01 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 73.04 1m3d s THR 147 CO -0.10 -0.62 0.00 -0.24 -0.54 0.00 0.00 174.62 173.12 1m3d n SER 148 N 0.93 0.00 -4.66 3.99 2.88 0.36 -1.26 113.62 115.86 1m3d n SER 148 Ca -0.20 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.88 1m3d n SER 148 Cb 0.58 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.00 1m3d n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1m3d n ALA 149 N -3.00 0.98 -1.26 -1.46 0.00 -1.26 -0.90 120.51 113.61 1m3d n ALA 149 Ca 0.00 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 1m3d n ALA 149 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.13 1m3d n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m3d n GLY 150 N 2.63 0.95 2.51 0.00 0.00 -1.26 -1.88 105.19 108.14 1m3d n GLY 150 Ca 0.14 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1m3d n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m3d n ALA 151 N 1.17 -0.23 -2.24 4.61 0.00 -0.07 -4.98 120.51 118.77 1m3d n ALA 151 Ca -0.09 0.25 -0.28 0.00 0.00 0.00 0.00 53.44 53.32 1m3d n ALA 151 Cb 0.49 -1.70 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 1m3d n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1m3d s GLU 152 N -3.25 3.57 0.00 0.00 0.41 -0.79 -4.69 118.70 113.95 1m3d s GLU 152 Ca 0.00 0.26 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 1m3d s GLU 152 Cb 0.00 -2.36 0.00 0.00 -1.78 0.00 0.00 34.13 29.99 1m3d s GLU 152 CO 0.00 -0.21 0.00 0.41 -0.49 0.00 0.00 175.26 174.97 1m3d n GLY 153 N -2.20 -1.01 0.81 -1.39 0.00 -1.26 -0.49 105.19 99.66 1m3d n GLY 153 Ca 0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 1m3d n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1m3d n SER 154 N 0.17 -0.43 -1.81 1.61 3.41 -1.10 -4.75 113.62 110.71 1m3d n SER 154 Ca 0.00 -1.39 -0.05 0.00 -0.26 0.00 0.00 58.87 57.17 1m3d n SER 154 Cb 0.00 0.74 -0.00 0.00 -0.26 0.00 0.00 64.21 64.69 1m3d n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m3d n GLY 155 N -0.12 2.32 3.62 5.00 0.00 -1.26 -1.84 105.19 112.91 1m3d n GLY 155 Ca -0.01 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 1m3d n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m3d s GLN 156 N -2.24 2.25 -0.13 1.61 -1.52 -0.17 -4.78 119.66 114.68 1m3d s GLN 156 Ca 0.10 -1.16 -0.27 0.00 -1.95 0.00 0.00 55.36 52.08 1m3d s GLN 156 Cb -0.01 -2.28 -0.02 0.00 -0.22 0.00 0.00 33.01 30.49 1m3d s GLN 156 CO 0.08 0.45 0.90 0.00 -0.25 0.00 0.00 175.29 176.47 1m3d s ALA 157 N -1.68 3.44 0.35 6.09 0.00 -1.26 -4.92 121.76 123.79 1m3d s ALA 157 Ca 0.26 0.21 0.38 0.00 0.00 0.00 0.00 51.96 52.81 1m3d s ALA 157 Cb -0.09 -3.30 1.96 0.00 0.00 0.00 0.00 23.12 21.69 1m3d s ALA 157 CO 0.17 -0.57 2.14 -0.07 0.00 0.00 0.00 175.76 177.43 1m3d h LEU 158 N 8.01 0.00 0.00 0.00 3.38 -1.95 -0.02 115.31 124.73 1m3d h LEU 158 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1m3d h LEU 158 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1m3d h LEU 158 CO 0.84 0.00 -0.47 0.00 0.09 0.00 0.00 178.44 178.90 1m3d n ALA 159 N -2.01 3.35 -2.36 1.53 0.00 -1.26 -4.61 120.51 115.15 1m3d n ALA 159 Ca -0.02 -0.31 -0.32 0.00 0.00 0.00 0.00 53.44 52.78 1m3d n ALA 159 Cb 0.11 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1m3d n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1m3d s SER 160 N -3.16 6.67 0.64 0.00 0.15 -0.02 -1.16 113.70 116.82 1m3d s SER 160 Ca 0.11 1.00 0.41 0.00 0.70 0.00 0.00 55.95 58.16 1m3d s SER 160 Cb 0.17 -2.26 2.19 0.00 -1.71 0.00 0.00 66.02 64.42 1m3d s SER 160 CO 0.69 -0.08 2.31 -0.65 1.20 0.00 0.00 173.24 176.71 1m3d h PRO 161 N 2.60 0.00 0.00 5.44 0.11 -1.85 -1.75 132.00 136.56 1m3d h PRO 161 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1m3d h PRO 161 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1m3d h PRO 161 CO 0.68 0.01 -0.04 0.78 -0.21 0.00 0.00 178.00 179.21 1m3d h GLY 162 N 0.24 0.00 -0.50 -0.55 0.00 -1.85 -0.76 103.07 99.65 1m3d h GLY 162 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m3d h GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1m3d n SER 163 N -3.36 1.15 -3.79 0.19 3.41 -0.66 -4.54 113.62 106.02 1m3d n SER 163 Ca -0.02 -1.73 -0.29 0.00 -0.26 0.00 0.00 58.87 56.57 1m3d n SER 163 Cb 0.18 -0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 1m3d n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m3d s LEU 165 N -0.00 4.48 0.48 0.00 1.43 -0.92 -4.76 118.68 119.38 1m3d s LEU 165 Ca 0.19 1.58 0.27 0.00 -1.03 0.00 0.00 54.13 55.13 1m3d s LEU 165 Cb -0.22 -3.35 1.06 0.00 0.03 0.00 0.00 46.19 43.71 1m3d s LEU 165 CO -0.02 0.01 1.88 -0.33 0.23 0.00 0.00 176.35 178.12 1m3d h GLU 166 N 5.50 0.00 -4.37 1.70 5.08 -1.88 0.14 114.58 120.74 1m3d h GLU 166 Ca -0.44 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.39 1m3d h GLU 166 Cb 1.21 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.10 1m3d h GLU 166 CO 0.71 0.15 -0.81 -1.21 -1.00 0.00 0.00 179.01 176.85 1m3d s GLU 167 N -3.67 1.68 0.20 2.33 2.02 -1.26 -4.77 118.70 115.23 1m3d s GLU 167 Ca 0.01 -0.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.36 1m3d s GLU 167 Cb 0.10 -1.61 -0.08 0.00 0.10 0.00 0.00 34.13 32.64 1m3d s GLU 167 CO 0.61 -0.18 1.17 0.12 0.02 0.00 0.00 175.26 177.00 1m3d s PHE 168 N 1.39 3.46 -0.03 1.61 2.19 -1.26 -4.96 117.98 120.38 1m3d s PHE 168 Ca -0.00 1.49 -0.01 0.00 0.33 0.00 0.00 56.93 58.74 1m3d s PHE 168 Cb -0.13 -3.39 0.03 0.00 -1.31 0.00 0.00 43.02 38.21 1m3d s PHE 168 CO -0.05 -1.03 0.04 1.03 1.83 0.00 0.00 175.22 177.04 1m3d s ARG 169 N -0.48 -0.03 0.36 10.12 1.81 -1.26 -5.01 118.95 124.46 1m3d s ARG 169 Ca 0.51 0.24 0.05 0.00 -1.72 0.00 0.00 55.73 54.81 1m3d s ARG 169 Cb -0.32 -0.34 0.67 0.00 -0.45 0.00 0.00 34.95 34.50 1m3d s ARG 169 CO 0.37 -0.22 1.93 1.03 -0.68 0.00 0.00 175.30 177.74 1m3d h SER 170 N 7.63 0.50 -2.99 0.23 0.87 -2.00 -3.25 113.55 114.54 1m3d h SER 170 Ca -0.36 -0.07 -0.61 0.00 -1.23 0.00 0.00 61.79 59.52 1m3d h SER 170 Cb 1.12 -0.13 -0.41 0.00 -0.44 0.00 0.00 62.40 62.54 1m3d h SER 170 CO 0.38 0.50 -0.67 0.00 -0.53 0.00 0.00 176.83 176.52 1m3d s ALA 171 N -5.14 3.21 -0.92 6.23 0.00 -1.26 -4.43 121.76 119.45 1m3d s ALA 171 Ca -0.08 -3.47 0.22 0.00 0.00 0.00 0.00 51.96 48.63 1m3d s ALA 171 Cb 0.16 -2.03 0.91 0.00 0.00 0.00 0.00 23.12 22.16 1m3d s ALA 171 CO 0.76 -2.07 1.70 -0.35 0.00 0.00 0.00 175.76 175.80 1m3d n PRO 172 N 2.25 0.05 -4.13 0.00 -0.04 -1.23 -4.86 135.00 127.04 1m3d n PRO 172 Ca 0.21 0.17 -0.09 0.00 -0.04 0.00 0.00 63.50 63.75 1m3d n PRO 172 Cb 0.38 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 1m3d n PRO 172 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1m3d s PHE 173 N -3.04 0.72 0.12 0.54 -0.71 -1.26 -0.63 117.98 113.72 1m3d s PHE 173 Ca 0.10 -1.09 0.10 0.00 -1.04 0.00 0.00 56.93 55.00 1m3d s PHE 173 Cb 0.13 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 1m3d s PHE 173 CO 0.41 -0.37 -0.25 -1.50 -1.34 0.00 0.00 175.22 172.16 1m3d s ILE 174 N -3.90 2.08 -0.19 -4.49 2.07 -0.22 -4.80 121.20 111.75 1m3d s ILE 174 Ca 0.14 -1.69 -0.08 0.00 -1.41 0.00 0.00 60.65 57.61 1m3d s ILE 174 Cb 0.07 -1.86 -0.04 0.00 0.13 0.00 0.00 42.46 40.76 1m3d s ILE 174 CO -0.05 0.04 0.08 -0.70 -1.91 0.00 0.00 174.94 172.40 1m3d s GLU 175 N -2.01 3.99 0.19 3.50 2.12 -0.67 -2.38 118.70 123.45 1m3d s GLU 175 Ca 0.12 -0.33 0.11 0.00 0.36 0.00 0.00 54.97 55.22 1m3d s GLU 175 Cb -0.10 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1m3d s GLU 175 CO 0.05 0.23 -0.22 0.00 -0.54 0.00 0.00 175.26 174.79 1m3d s HIS 177 N -1.86 2.11 0.61 0.00 0.09 0.89 -1.87 115.29 115.26 1m3d s HIS 177 Ca 0.20 -0.40 0.30 0.00 -0.00 0.00 0.00 55.06 55.16 1m3d s HIS 177 Cb -0.07 -1.01 1.67 0.00 -0.00 0.00 0.00 32.58 33.16 1m3d s HIS 177 CO 0.09 0.49 2.04 0.78 -0.00 0.00 0.00 174.74 178.15 1m3d h GLY 178 N 2.96 0.00 2.00 -2.22 0.00 -1.64 -0.19 103.07 103.98 1m3d h GLY 178 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1m3d h GLY 178 CO 0.53 0.00 0.00 3.21 0.00 0.00 0.00 176.54 180.28 1m3d h ARG 179 N 0.00 0.00 0.00 4.80 3.08 -1.87 -3.45 114.38 116.94 1m3d h ARG 179 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1m3d h ARG 179 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1m3d h ARG 179 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1m3d n GLY 180 N -0.46 1.11 3.70 0.04 0.00 -0.08 -5.07 105.19 104.43 1m3d n GLY 180 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1m3d n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m3d s THR 181 N -2.00 4.23 0.05 2.61 -4.23 -1.24 -3.85 115.64 111.21 1m3d s THR 181 Ca 0.00 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1m3d s THR 181 Cb 0.00 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 1m3d s THR 181 CO 0.00 0.37 -0.05 0.00 -0.54 0.00 0.00 174.62 174.40 1m3d s ASN 183 N -2.22 -0.04 -0.20 0.00 2.47 0.55 0.11 114.94 115.61 1m3d s ASN 183 Ca -0.02 -0.07 -0.09 0.00 0.42 0.00 0.00 52.86 53.10 1m3d s ASN 183 Cb -0.02 0.09 -0.04 0.00 -1.45 0.00 0.00 41.25 39.83 1m3d s ASN 183 CO -0.04 -0.16 0.09 -0.31 -3.72 0.00 0.00 177.10 172.96 1m3d s TYR 184 N -2.24 3.28 0.22 0.43 1.51 -1.26 -1.67 117.35 117.63 1m3d s TYR 184 Ca 0.14 0.12 0.09 0.00 -1.01 0.00 0.00 57.07 56.41 1m3d s TYR 184 Cb 0.05 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1m3d s TYR 184 CO -0.05 0.13 -0.05 0.71 -1.11 0.00 0.00 175.55 175.18 1m3d s TYR 185 N 0.59 2.68 0.64 2.71 1.51 -1.26 -5.02 117.35 119.19 1m3d s TYR 185 Ca 0.05 -0.21 0.42 0.00 -1.01 0.00 0.00 57.07 56.32 1m3d s TYR 185 Cb -0.12 -1.25 2.29 0.00 -0.11 0.00 0.00 41.96 42.76 1m3d s TYR 185 CO 0.01 0.57 2.29 0.00 -1.11 0.00 0.00 175.55 177.30 1m3d h ALA 186 N 2.43 1.05 -0.54 3.71 0.00 -2.03 -2.21 119.26 121.67 1m3d h ALA 186 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1m3d h ALA 186 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1m3d h ALA 186 CO 0.58 -0.05 0.00 0.27 0.00 0.00 0.00 179.25 180.05 1m3d n ASN 187 N -3.02 3.10 -4.60 0.00 6.94 -1.26 -4.85 115.26 111.56 1m3d n ASN 187 Ca -0.03 -1.98 -0.43 0.00 -0.02 0.00 0.00 54.58 52.12 1m3d n ASN 187 Cb 0.11 -0.36 -0.02 0.00 -2.36 0.00 0.00 39.78 37.15 1m3d n ASN 187 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1m3d s ALA 188 N -1.28 3.17 -0.06 -2.53 0.00 -0.83 -4.32 121.76 115.90 1m3d s ALA 188 Ca 0.39 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.93 1m3d s ALA 188 Cb 0.21 -3.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1m3d s ALA 188 CO 0.27 -2.23 -0.10 0.71 0.00 0.00 0.00 175.76 174.42 1m3d s TYR 189 N 4.47 2.85 -0.08 0.00 4.12 -0.39 -4.99 117.35 123.33 1m3d s TYR 189 Ca 0.49 -0.05 0.02 0.00 0.02 0.00 0.00 57.07 57.55 1m3d s TYR 189 Cb -0.08 -1.68 -0.02 0.00 -1.52 0.00 0.00 41.96 38.66 1m3d s TYR 189 CO 0.31 0.27 -0.15 -1.54 0.02 0.00 0.00 175.55 174.47 1m3d s SER 190 N -0.76 3.95 -0.11 2.29 1.04 -1.26 -2.03 113.70 116.81 1m3d s SER 190 Ca 0.12 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.28 1m3d s SER 190 Cb -0.11 -1.18 -0.02 0.00 0.10 0.00 0.00 66.02 64.82 1m3d s SER 190 CO 0.01 0.26 -0.13 -0.36 0.98 0.00 0.00 173.24 174.00 1m3d s PHE 191 N -0.23 2.79 0.10 5.02 0.08 0.41 -4.98 117.98 121.17 1m3d s PHE 191 Ca 0.01 -0.54 0.05 0.00 0.12 0.00 0.00 56.93 56.57 1m3d s PHE 191 Cb -0.13 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 1m3d s PHE 191 CO 0.03 -0.13 -0.14 -1.58 -0.10 0.00 0.00 175.22 173.30 1m3d s TRP 192 N 0.14 1.31 0.32 0.36 0.52 -1.26 -1.02 118.94 119.31 1m3d s TRP 192 Ca -0.07 -0.53 -0.29 0.00 0.02 0.00 0.00 56.10 55.23 1m3d s TRP 192 Cb -0.15 -0.70 -0.10 0.00 -1.15 0.00 0.00 33.47 31.37 1m3d s TRP 192 CO 0.05 0.10 1.30 -0.51 0.02 0.00 0.00 176.95 177.90 1m3d s LEU 193 N -2.21 4.43 0.43 2.99 1.43 -0.69 -4.89 118.68 120.17 1m3d s LEU 193 Ca 0.05 2.65 -0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1m3d s LEU 193 Cb -0.06 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 1m3d s LEU 193 CO 0.02 -0.51 0.65 0.00 0.23 0.00 0.00 176.35 176.74 1m3d s ALA 194 N -1.07 3.71 0.06 4.21 0.00 -1.26 -1.08 121.76 126.32 1m3d s ALA 194 Ca 0.49 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 1m3d s ALA 194 Cb -0.39 -2.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 1m3d s ALA 194 CO 0.51 -0.28 0.71 0.95 0.00 0.00 0.00 175.76 177.65 1m3d s THR 195 N -2.51 4.69 -0.04 0.00 -4.23 -1.23 -4.42 115.64 107.91 1m3d s THR 195 Ca 0.46 1.53 0.02 0.00 -1.18 0.00 0.00 61.69 62.52 1m3d s THR 195 Cb -0.10 -4.06 0.01 0.00 1.34 0.00 0.00 72.50 69.69 1m3d s THR 195 CO 0.38 0.43 -0.10 -0.63 -0.54 0.00 0.00 174.62 174.16 1m3d s ILE 196 N -0.42 0.86 -0.08 2.99 1.01 0.12 -4.94 121.20 120.74 1m3d s ILE 196 Ca 0.35 -0.38 -0.25 0.00 0.00 0.00 0.00 60.65 60.37 1m3d s ILE 196 Cb -0.20 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 1m3d s ILE 196 CO 0.22 0.27 0.80 -0.70 0.00 0.00 0.00 174.94 175.54 1m3d s GLU 197 N 0.35 4.43 0.30 2.79 2.12 -1.26 -4.77 118.70 122.65 1m3d s GLU 197 Ca -0.06 1.04 0.04 0.00 0.36 0.00 0.00 54.97 56.36 1m3d s GLU 197 Cb -0.11 -3.48 0.76 0.00 0.26 0.00 0.00 34.13 31.56 1m3d s GLU 197 CO 0.01 -0.07 1.67 -0.09 -0.54 0.00 0.00 175.26 176.25 1m3d h ARG 198 N 6.92 0.31 0.00 4.30 9.65 -2.00 0.48 114.38 134.05 1m3d h ARG 198 Ca -0.38 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 1m3d h ARG 198 Cb 1.18 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1m3d h ARG 198 CO 0.77 0.21 0.00 1.03 2.80 0.00 0.00 179.97 184.78 1m3d h SER 199 N 0.32 0.00 -0.41 -3.80 0.87 -2.05 -3.04 113.55 105.45 1m3d h SER 199 Ca 0.58 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 1m3d h SER 199 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1m3d h SER 199 CO -0.58 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.10 1m3d n GLU 200 N -2.73 3.03 -0.13 2.24 1.02 0.16 -4.66 120.64 119.58 1m3d n GLU 200 Ca 0.01 -2.44 -0.05 0.00 -0.02 0.00 0.00 57.16 54.66 1m3d n GLU 200 Cb 0.26 -1.54 0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1m3d n GLU 200 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1m3d h MET 201 N 2.52 0.33 -1.71 3.49 2.86 -1.35 -2.92 114.93 118.16 1m3d h MET 201 Ca 0.00 -0.02 -0.72 0.00 -2.06 0.00 0.00 59.70 56.90 1m3d h MET 201 Cb 1.05 -0.07 -0.31 0.00 0.06 0.00 0.00 31.60 32.33 1m3d h MET 201 CO 0.09 0.22 0.65 1.19 1.06 0.00 0.00 176.91 180.12 1m3d n PHE 202 N -4.98 3.09 -4.15 -0.22 3.01 -1.26 -4.92 117.46 108.02 1m3d n PHE 202 Ca 0.02 -2.57 -0.17 0.00 1.01 0.00 0.00 57.45 55.75 1m3d n PHE 202 Cb 0.14 -1.00 -0.12 0.00 -0.01 0.00 0.00 39.48 38.49 1m3d n PHE 202 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1m3d s LYS 203 N -3.93 0.77 0.06 -1.08 1.02 -1.10 -5.10 119.74 110.38 1m3d s LYS 203 Ca 0.53 -0.95 -0.36 0.00 0.02 0.00 0.00 55.97 55.22 1m3d s LYS 203 Cb 0.44 -0.68 -0.15 0.00 -0.52 0.00 0.00 37.83 36.92 1m3d s LYS 203 CO -0.30 0.14 1.52 1.17 -0.92 0.00 0.00 175.35 176.96 1m3d n LYS 204 N 1.20 1.62 -1.88 1.68 4.81 -1.26 -4.88 118.16 119.45 1m3d n LYS 204 Ca -0.21 0.59 -0.41 0.00 -0.87 0.00 0.00 58.31 57.41 1m3d n LYS 204 Cb 0.55 -2.30 -0.01 0.00 0.02 0.00 0.00 35.03 33.29 1m3d n LYS 204 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1m3d s PRO 205 N 1.26 4.17 -0.41 1.64 0.02 -1.26 -4.94 135.00 135.48 1m3d s PRO 205 Ca 0.84 2.48 -0.21 0.00 0.02 0.00 0.00 61.00 64.14 1m3d s PRO 205 Cb -0.84 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 30.70 1m3d s PRO 205 CO 0.46 -0.45 0.68 0.99 -0.33 0.00 0.00 177.00 178.34 1m3d s THR 206 N -1.05 4.80 0.52 0.99 2.01 -1.26 -5.03 115.64 116.62 1m3d s THR 206 Ca 0.52 0.39 -0.22 0.00 0.31 0.00 0.00 61.69 62.70 1m3d s THR 206 Cb -0.45 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 67.81 1m3d s THR 206 CO 0.60 -0.52 1.22 -2.65 -0.69 0.00 0.00 174.62 172.57 1m3d n PRO 207 N 6.30 1.53 -3.71 4.92 -0.02 -1.26 -5.02 135.00 137.75 1m3d n PRO 207 Ca -0.00 0.56 -0.14 0.00 -2.02 0.00 0.00 63.50 61.90 1m3d n PRO 207 Cb 0.48 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 1m3d n PRO 207 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1m3d s SER 208 N -0.89 -0.48 -0.19 2.55 0.15 -1.26 -5.13 113.70 108.44 1m3d s SER 208 Ca 0.69 0.88 0.01 0.00 0.70 0.00 0.00 55.95 58.24 1m3d s SER 208 Cb -0.45 0.90 0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1m3d s SER 208 CO 0.51 -0.21 -0.17 -0.89 1.20 0.00 0.00 173.24 173.68 1m3d s THR 209 N 0.05 2.02 0.05 6.45 2.01 -1.26 -5.12 115.64 119.83 1m3d s THR 209 Ca -0.02 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 60.98 1m3d s THR 209 Cb -0.03 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1m3d s THR 209 CO 0.01 0.41 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.59 1m3d s LEU 210 N 1.28 3.43 0.00 4.42 1.43 -1.26 -5.13 118.68 122.85 1m3d s LEU 210 Ca 0.02 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1m3d s LEU 210 Cb -0.14 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1m3d s LEU 210 CO -0.11 0.22 0.03 0.29 0.23 0.00 0.00 176.35 177.01 1m3d n LYS 211 N 0.95 1.02 -1.52 1.70 5.02 -1.26 -5.02 118.16 119.05 1m3d n LYS 211 Ca -0.13 -2.89 -0.55 0.00 -2.02 0.00 0.00 58.31 52.72 1m3d n LYS 211 Cb 0.52 0.74 -0.07 0.00 -0.02 0.00 0.00 35.03 36.20 1m3d n LYS 211 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m3d n ALA 212 N -1.76 -2.69 -0.25 7.82 0.00 -1.26 -3.92 120.51 118.44 1m3d n ALA 212 Ca -0.16 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1m3d n ALA 212 Cb 0.50 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1m3d n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m3d n GLY 213 N 1.83 -3.11 2.95 0.00 0.00 -1.26 -4.77 105.19 100.83 1m3d n GLY 213 Ca 0.19 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1m3d n GLY 213 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1m3d n GLU 214 N -1.36 -0.76 -0.04 1.61 2.13 -1.26 -4.85 120.64 116.11 1m3d n GLU 214 Ca 0.00 0.19 -0.05 0.00 0.66 0.00 0.00 57.16 57.96 1m3d n GLU 214 Cb 0.04 -4.01 -0.04 0.00 0.27 0.00 0.00 31.44 27.70 1m3d n GLU 214 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1m3d h LEU 215 N 0.00 -0.02 0.00 4.31 5.85 -1.86 -3.35 115.31 120.24 1m3d h LEU 215 Ca 0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1m3d h LEU 215 Cb 0.38 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1m3d h LEU 215 CO 0.00 0.62 0.00 -2.11 -0.34 0.00 0.00 178.44 176.61 1m3d n ARG 216 N -4.75 0.56 -0.02 1.25 1.85 -1.26 -2.62 116.66 111.67 1m3d n ARG 216 Ca -0.03 0.03 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 1m3d n ARG 216 Cb 0.15 -1.50 0.56 0.00 -1.05 0.00 0.00 32.46 30.62 1m3d n ARG 216 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1m3d n THR 217 N -1.13 0.04 -0.70 8.89 -2.24 -1.26 -3.39 114.28 114.50 1m3d n THR 217 Ca 0.15 -0.22 0.06 0.00 -2.27 0.00 0.00 64.05 61.76 1m3d n THR 217 Cb 0.13 0.29 0.08 0.00 -2.10 0.00 0.00 70.33 68.74 1m3d n THR 217 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1m3d n HIS 218 N -0.01 0.00 -4.75 4.78 8.25 -1.08 -4.82 115.22 117.60 1m3d n HIS 218 Ca 0.19 -0.77 -0.33 0.00 -0.26 0.00 0.00 57.72 56.55 1m3d n HIS 218 Cb 0.30 -0.11 -0.14 0.00 1.12 0.00 0.00 29.99 31.16 1m3d n HIS 218 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m3d s VAL 219 N -2.06 3.16 0.40 1.59 1.01 -1.22 -3.50 120.40 119.79 1m3d s VAL 219 Ca 0.19 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.29 1m3d s VAL 219 Cb 0.16 -2.32 -0.11 0.00 0.00 0.00 0.00 36.38 34.11 1m3d s VAL 219 CO 0.02 0.53 0.95 -0.24 0.00 0.00 0.00 175.10 176.36 1m3d n SER 220 N 3.32 0.97 -4.94 3.32 2.88 -0.25 -4.70 113.62 114.23 1m3d n SER 220 Ca -0.18 1.04 -0.22 0.00 -1.33 0.00 0.00 58.87 58.18 1m3d n SER 220 Cb 0.53 -1.31 -0.03 0.00 -0.75 0.00 0.00 64.21 62.65 1m3d n SER 220 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1m3d s ARG 221 N -1.90 3.35 0.15 -1.46 1.81 -0.99 -1.76 118.95 118.17 1m3d s ARG 221 Ca 0.63 -0.79 -0.05 0.00 -1.72 0.00 0.00 55.73 53.80 1m3d s ARG 221 Cb -0.58 -2.84 -0.03 0.00 -0.45 0.00 0.00 34.95 31.05 1m3d s ARG 221 CO 0.57 0.44 0.17 0.00 -0.68 0.00 0.00 175.30 175.80 1m3d s GLN 223 N -4.02 0.11 -0.20 0.00 0.74 -0.63 -1.21 119.66 114.46 1m3d s GLN 223 Ca 0.22 0.11 -0.09 0.00 0.05 0.00 0.00 55.36 55.64 1m3d s GLN 223 Cb 0.05 0.05 -0.05 0.00 1.10 0.00 0.00 33.01 34.17 1m3d s GLN 223 CO 0.02 -0.01 0.12 0.08 -0.55 0.00 0.00 175.29 174.94 1m3d s VAL 224 N 0.01 5.26 0.09 1.34 1.01 0.65 -1.31 120.40 127.46 1m3d s VAL 224 Ca -0.00 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1m3d s VAL 224 Cb -0.01 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1m3d s VAL 224 CO 0.00 0.44 -0.14 0.00 0.00 0.00 0.00 175.10 175.40 1m3d s MET 226 N -2.19 2.09 -1.42 0.00 1.75 0.48 -0.89 119.30 119.13 1m3d s MET 226 Ca 0.03 -0.89 -0.15 0.00 -1.25 0.00 0.00 55.69 53.43 1m3d s MET 226 Cb -0.07 -1.98 0.05 0.00 2.84 0.00 0.00 34.83 35.66 1m3d s MET 226 CO 0.02 0.51 2.10 -2.13 -0.65 0.00 0.00 175.02 174.88 1m3d n ARG 227 N 2.54 2.95 -3.68 4.11 0.00 -0.81 -0.03 116.66 121.74 1m3d n ARG 227 Ca -0.16 -2.79 -0.14 0.00 -0.00 0.00 0.00 57.85 54.76 1m3d n ARG 227 Cb 0.51 -3.33 -0.08 0.00 0.00 0.00 0.00 32.46 29.56 1m3d n ARG 227 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1m3d s ARG 228 N 3.38 0.67 0.00 -0.14 3.52 -1.20 -4.75 118.95 120.44 1m3d s ARG 228 Ca 0.48 0.72 0.00 0.00 -0.13 0.00 0.00 55.73 56.81 1m3d s ARG 228 Cb 0.11 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.83 1m3d s ARG 228 CO -0.05 -0.09 0.00 2.41 -0.81 0.00 0.00 175.30 176.76