#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtm n ALA 40 N 0.00 0.00 -2.08 -1.46 0.00 -1.26 -5.03 120.51 110.68 1xtm n ALA 40 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1xtm n ALA 40 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1xtm n ALA 40 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xtm s PHE 41 N -2.33 3.67 0.00 0.00 0.40 -1.26 -4.45 117.98 114.01 1xtm s PHE 41 Ca 0.00 1.67 0.00 0.00 -0.60 0.00 0.00 56.93 58.00 1xtm s PHE 41 Cb 0.00 -3.21 0.00 0.00 0.51 0.00 0.00 43.02 40.32 1xtm s PHE 41 CO 0.00 -0.35 0.00 0.41 0.70 0.00 0.00 175.22 175.98 1xtm n GLY 42 N 2.04 3.94 3.83 4.36 0.00 -0.25 -4.86 105.19 114.24 1xtm n GLY 42 Ca 0.02 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 1xtm n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xtm n HIS 43 N 0.00 -1.84 -1.70 1.61 8.25 -1.26 0.18 115.22 120.46 1xtm n HIS 43 Ca 0.00 0.81 -0.44 0.00 -0.26 0.00 0.00 57.72 57.83 1xtm n HIS 43 Cb 0.00 -4.08 -0.02 0.00 1.12 0.00 0.00 29.99 27.01 1xtm n HIS 43 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1xtm n HIS 44 N -4.36 2.40 -3.88 4.41 -0.00 -1.26 -4.46 115.22 108.07 1xtm n HIS 44 Ca -0.27 0.36 -0.28 0.00 0.46 0.00 0.00 57.72 58.00 1xtm n HIS 44 Cb 0.66 -2.51 -0.16 0.00 -0.12 0.00 0.00 29.99 27.86 1xtm n HIS 44 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1xtm s VAL 45 N 0.01 1.07 0.18 3.57 1.01 -0.17 -5.00 120.40 121.08 1xtm s VAL 45 Ca 0.67 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1xtm s VAL 45 Cb -0.60 -1.29 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 1xtm s VAL 45 CO 0.49 0.07 1.12 -1.58 0.00 0.00 0.00 175.10 175.20 1xtm s GLN 46 N 1.64 4.57 -0.07 2.72 -0.44 -1.26 -0.71 119.66 126.11 1xtm s GLN 46 Ca -0.00 1.76 -0.13 0.00 -2.50 0.00 0.00 55.36 54.49 1xtm s GLN 46 Cb -0.16 -3.27 -0.05 0.00 -1.64 0.00 0.00 33.01 27.90 1xtm s GLN 46 CO -0.07 0.04 0.33 -0.51 0.50 0.00 0.00 175.29 175.57 1xtm s LEU 47 N -0.38 4.39 0.02 3.68 1.43 0.42 -4.37 118.68 123.86 1xtm s LEU 47 Ca 0.50 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 1xtm s LEU 47 Cb -0.30 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 1xtm s LEU 47 CO 0.36 0.27 -0.08 0.68 0.23 0.00 0.00 176.35 177.80 1xtm s VAL 48 N -0.59 0.59 0.49 -1.59 -7.23 -0.58 -1.46 120.40 110.03 1xtm s VAL 48 Ca 0.20 -0.66 -0.04 0.00 -1.81 0.00 0.00 61.98 59.67 1xtm s VAL 48 Cb -0.15 -0.57 0.10 0.00 0.56 0.00 0.00 36.38 36.33 1xtm s VAL 48 CO 0.09 -0.07 0.66 -0.46 -0.31 0.00 0.00 175.10 175.01 1xtm n ASN 49 N 2.25 0.51 0.26 4.85 2.04 -0.50 -1.05 115.26 123.62 1xtm n ASN 49 Ca -0.17 -1.52 0.15 0.00 -0.44 0.00 0.00 54.58 52.60 1xtm n ASN 49 Cb 0.56 -0.46 0.62 0.00 -2.53 0.00 0.00 39.78 37.96 1xtm n ASN 49 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 1xtm h ARG 50 N 0.00 0.00 -0.01 -3.83 3.08 -1.80 -1.68 114.38 110.15 1xtm h ARG 50 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1xtm h ARG 50 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1xtm h ARG 50 CO 0.20 0.08 -0.14 0.39 -1.07 0.00 0.00 179.97 179.43 1xtm n GLU 51 N -3.22 1.18 -0.87 0.04 4.71 -1.26 -4.34 120.64 116.87 1xtm n GLU 51 Ca 0.00 -0.67 0.00 0.00 -0.01 0.00 0.00 57.16 56.49 1xtm n GLU 51 Cb 0.34 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.29 1xtm n GLU 51 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xtm n GLY 52 N 1.26 0.57 3.73 0.62 0.00 -0.63 -5.05 105.19 105.69 1xtm n GLY 52 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1xtm n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xtm s LYS 53 N -0.13 4.51 0.00 1.61 2.20 -1.26 -4.79 119.74 121.89 1xtm s LYS 53 Ca 0.00 1.79 -0.30 0.00 -0.36 0.00 0.00 55.97 57.10 1xtm s LYS 53 Cb 0.00 -3.28 -0.07 0.00 -1.51 0.00 0.00 37.83 32.97 1xtm s LYS 53 CO 0.00 -0.07 1.64 0.00 -0.36 0.00 0.00 175.35 176.56 1xtm s ALA 54 N 0.16 3.64 -0.08 3.13 0.00 -1.26 -1.41 121.76 125.93 1xtm s ALA 54 Ca 0.53 1.05 0.17 0.00 0.00 0.00 0.00 51.96 53.71 1xtm s ALA 54 Cb -0.31 -3.72 0.36 0.00 0.00 0.00 0.00 23.12 19.46 1xtm s ALA 54 CO 0.34 -1.25 1.16 1.33 0.00 0.00 0.00 175.76 177.35 1xtm n VAL 55 N 5.11 0.93 0.00 0.00 0.24 -0.54 -4.97 118.33 119.10 1xtm n VAL 55 Ca 0.16 -1.76 0.00 0.00 -2.04 0.00 0.00 64.34 60.71 1xtm n VAL 55 Cb 0.42 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 1xtm n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xtm n GLY 56 N -0.30 0.47 3.55 7.63 0.00 -1.25 -1.49 105.19 113.81 1xtm n GLY 56 Ca 0.11 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 1xtm n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xtm s PHE 57 N -0.29 0.05 0.03 1.61 -0.71 -0.68 -0.44 117.98 117.55 1xtm s PHE 57 Ca 0.00 -0.41 0.07 0.00 -1.04 0.00 0.00 56.93 55.54 1xtm s PHE 57 Cb 0.00 0.33 -0.02 0.00 -1.21 0.00 0.00 43.02 42.11 1xtm s PHE 57 CO 0.00 -0.95 -0.20 0.42 -1.34 0.00 0.00 175.22 173.15 1xtm s ILE 58 N -3.92 1.57 0.16 -4.49 1.01 0.11 -1.32 121.20 114.31 1xtm s ILE 58 Ca 0.14 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1xtm s ILE 58 Cb -0.01 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1xtm s ILE 58 CO 0.02 0.24 -0.09 -1.61 0.00 0.00 0.00 174.94 173.49 1xtm s GLU 59 N -1.00 1.09 -0.01 2.79 2.02 -0.33 -1.00 118.70 122.26 1xtm s GLU 59 Ca 0.07 -1.48 0.03 0.00 0.02 0.00 0.00 54.97 53.61 1xtm s GLU 59 Cb -0.08 -0.63 -0.00 0.00 0.10 0.00 0.00 34.13 33.52 1xtm s GLU 59 CO 0.01 0.06 -0.09 0.42 0.02 0.00 0.00 175.26 175.68 1xtm s ILE 60 N -3.33 0.76 -0.02 -1.63 1.01 0.13 -0.97 121.20 117.14 1xtm s ILE 60 Ca 0.18 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.50 1xtm s ILE 60 Cb 0.03 -0.65 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 1xtm s ILE 60 CO 0.01 0.22 -0.21 -0.75 0.00 0.00 0.00 174.94 174.21 1xtm s LYS 61 N -0.13 1.83 -0.49 2.79 2.36 -0.15 -1.10 119.74 124.86 1xtm s LYS 61 Ca 0.02 -0.77 -0.28 0.00 -2.55 0.00 0.00 55.97 52.39 1xtm s LYS 61 Cb -0.05 -1.72 0.02 0.00 -1.05 0.00 0.00 37.83 35.02 1xtm s LYS 61 CO -0.00 0.43 1.35 -1.21 1.55 0.00 0.00 175.35 177.47 1xtm s GLU 62 N -0.42 3.50 0.27 4.03 2.02 -1.26 -0.96 118.70 125.88 1xtm s GLU 62 Ca 0.06 0.64 -0.29 0.00 0.02 0.00 0.00 54.97 55.40 1xtm s GLU 62 Cb -0.09 -4.04 -0.09 0.00 0.10 0.00 0.00 34.13 30.01 1xtm s GLU 62 CO -0.00 -1.68 1.04 0.45 0.02 0.00 0.00 175.26 175.09 1xtm s SER 63 N 3.78 7.37 -0.58 -0.19 0.15 -0.41 -4.94 113.70 118.89 1xtm s SER 63 Ca 0.54 2.14 0.06 0.00 0.70 0.00 0.00 55.95 59.40 1xtm s SER 63 Cb -0.11 -2.62 0.24 0.00 -1.71 0.00 0.00 66.02 61.83 1xtm s SER 63 CO 0.29 -0.06 0.67 0.47 1.20 0.00 0.00 173.24 175.82 1xtm n ASP 64 N 1.21 2.76 -3.61 5.45 8.00 -1.26 -4.44 116.55 124.66 1xtm n ASP 64 Ca -0.01 -3.23 -0.14 0.00 0.71 0.00 0.00 54.79 52.13 1xtm n ASP 64 Cb 0.46 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 1xtm n ASP 64 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1xtm s ASP 65 N -2.06 0.64 0.24 -2.24 1.11 -1.26 -5.18 116.67 107.93 1xtm s ASP 65 Ca 0.38 -1.38 0.03 0.00 0.18 0.00 0.00 52.55 51.76 1xtm s ASP 65 Cb 0.14 0.58 -0.01 0.00 1.07 0.00 0.00 42.92 44.70 1xtm s ASP 65 CO -0.05 -1.15 0.11 -1.84 1.18 0.00 0.00 175.17 173.42 1xtm n GLU 66 N -0.48 0.61 0.00 8.23 0.00 -1.26 -5.11 120.64 122.64 1xtm n GLU 66 Ca 0.01 -2.13 0.00 0.00 0.00 0.00 0.00 57.16 55.05 1xtm n GLU 66 Cb 0.63 1.28 0.00 0.00 0.00 0.00 0.00 31.44 33.34 1xtm n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xtm n GLY 67 N 0.22 1.19 3.33 -1.84 0.00 -1.24 -4.39 105.19 102.45 1xtm n GLY 67 Ca -0.02 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 1xtm n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xtm s LEU 68 N 0.00 2.22 -0.16 0.99 1.43 -0.85 -1.29 118.68 121.02 1xtm s LEU 68 Ca 0.00 -0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 52.39 1xtm s LEU 68 Cb 0.00 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 1xtm s LEU 68 CO 0.00 0.20 0.15 -1.81 0.23 0.00 0.00 176.35 175.11 1xtm s ASP 69 N -1.49 6.31 -0.25 2.29 1.01 -0.13 -0.06 116.67 124.36 1xtm s ASP 69 Ca 0.11 0.36 -0.03 0.00 0.71 0.00 0.00 52.55 53.70 1xtm s ASP 69 Cb -0.10 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.76 1xtm s ASP 69 CO 0.03 0.28 -0.02 -0.63 0.21 0.00 0.00 175.17 175.04 1xtm s ILE 70 N -0.29 3.25 -0.33 0.77 1.01 0.47 -0.98 121.20 125.10 1xtm s ILE 70 Ca 0.12 -0.81 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 1xtm s ILE 70 Cb -0.12 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 1xtm s ILE 70 CO 0.01 0.23 0.52 -2.28 0.00 0.00 0.00 174.94 173.42 1xtm s HIS 71 N 1.41 3.19 -0.16 3.97 5.65 -0.15 -1.03 115.29 128.17 1xtm s HIS 71 Ca 0.02 0.27 0.00 0.00 0.25 0.00 0.00 55.06 55.61 1xtm s HIS 71 Cb -0.16 -2.91 0.01 0.00 -1.18 0.00 0.00 32.58 28.34 1xtm s HIS 71 CO -0.03 -0.50 -0.17 -1.50 -0.65 0.00 0.00 174.74 171.90 1xtm s ILE 72 N 2.40 2.47 -0.30 0.89 2.07 0.13 -1.18 121.20 127.68 1xtm s ILE 72 Ca 0.20 -0.83 -0.00 0.00 -1.41 0.00 0.00 60.65 58.61 1xtm s ILE 72 Cb -0.15 -2.04 0.09 0.00 0.13 0.00 0.00 42.46 40.49 1xtm s ILE 72 CO 0.13 0.52 0.08 -0.55 -1.91 0.00 0.00 174.94 173.20 1xtm s SER 73 N 1.00 4.05 0.32 4.50 0.15 -0.44 -1.30 113.70 121.98 1xtm s SER 73 Ca -0.02 -1.62 0.06 0.00 0.70 0.00 0.00 55.95 55.06 1xtm s SER 73 Cb -0.15 -0.97 -0.06 0.00 -1.71 0.00 0.00 66.02 63.13 1xtm s SER 73 CO -0.04 -0.39 -0.01 0.00 1.20 0.00 0.00 173.24 174.00 1xtm s ALA 74 N 1.52 2.54 0.29 5.45 0.00 0.56 -1.69 121.76 130.44 1xtm s ALA 74 Ca 0.08 -2.04 -0.04 0.00 0.00 0.00 0.00 51.96 49.96 1xtm s ALA 74 Cb -0.18 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1xtm s ALA 74 CO -0.21 -0.15 0.38 0.54 0.00 0.00 0.00 175.76 176.32 1xtm s ASN 75 N -3.52 0.58 -1.50 0.00 4.22 -0.55 -1.64 114.94 112.53 1xtm s ASN 75 Ca 0.33 -1.36 -0.03 0.00 -2.14 0.00 0.00 52.86 49.66 1xtm s ASN 75 Cb 0.06 0.57 0.00 0.00 1.28 0.00 0.00 41.25 43.17 1xtm s ASN 75 CO 0.15 -1.13 0.41 -1.20 -2.04 0.00 0.00 177.10 173.29 1xtm n SER 76 N -0.91 -5.75 -4.84 3.54 7.64 -0.94 -4.88 113.62 107.48 1xtm n SER 76 Ca 0.01 -0.20 -0.21 0.00 1.01 0.00 0.00 58.87 59.48 1xtm n SER 76 Cb 0.63 -4.63 -0.04 0.00 -1.01 0.00 0.00 64.21 59.16 1xtm n SER 76 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xtm s LEU 77 N -6.04 3.47 -0.29 -3.43 1.43 0.08 -5.06 118.68 108.84 1xtm s LEU 77 Ca 0.21 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 1xtm s LEU 77 Cb -0.09 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1xtm s LEU 77 CO 0.25 -0.44 1.63 -0.60 0.23 0.00 0.00 176.35 177.42 1xtm s ARG 78 N -4.01 3.63 0.20 1.70 3.52 -1.26 -4.30 118.95 118.42 1xtm s ARG 78 Ca 0.42 1.46 -0.33 0.00 -0.13 0.00 0.00 55.73 57.16 1xtm s ARG 78 Cb -0.04 -4.08 -0.13 0.00 -1.56 0.00 0.00 34.95 29.14 1xtm s ARG 78 CO 0.26 -1.50 1.54 -2.30 -0.81 0.00 0.00 175.30 172.49 1xtm n PRO 79 N 7.95 2.21 -0.91 5.12 -0.02 -1.26 -2.05 135.00 146.02 1xtm n PRO 79 Ca 0.20 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1xtm n PRO 79 Cb 0.46 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1xtm n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xtm n GLY 80 N 2.97 0.48 3.85 -1.23 0.00 -0.41 -4.92 105.19 105.93 1xtm n GLY 80 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1xtm n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtm s ALA 81 N -2.28 3.18 -0.26 4.61 0.00 -0.87 -4.78 121.76 121.36 1xtm s ALA 81 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.93 1xtm s ALA 81 Cb 0.00 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1xtm s ALA 81 CO 0.00 -0.03 0.25 -1.12 0.00 0.00 0.00 175.76 174.86 1xtm s SER 82 N -2.83 6.14 -0.08 0.00 0.01 -1.26 -1.18 113.70 114.50 1xtm s SER 82 Ca 0.57 0.14 0.05 0.00 1.31 0.00 0.00 55.95 58.01 1xtm s SER 82 Cb -0.10 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 63.98 1xtm s SER 82 CO 0.26 -0.06 -0.24 -0.76 0.41 0.00 0.00 173.24 172.85 1xtm s LEU 83 N 1.65 2.11 0.46 2.44 1.43 -0.17 -1.99 118.68 124.61 1xtm s LEU 83 Ca 0.10 -0.53 -0.24 0.00 -1.03 0.00 0.00 54.13 52.43 1xtm s LEU 83 Cb -0.15 -1.40 -0.08 0.00 0.03 0.00 0.00 46.19 44.58 1xtm s LEU 83 CO 0.09 0.20 1.35 0.61 0.23 0.00 0.00 176.35 178.83 1xtm n GLY 84 N 3.25 0.76 3.21 -3.19 0.00 -0.16 -1.07 105.19 107.99 1xtm n GLY 84 Ca -0.18 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1xtm n GLY 84 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xtm s PHE 85 N -1.22 -0.72 -0.01 1.61 5.36 -1.26 -0.87 117.98 120.87 1xtm s PHE 85 Ca 0.63 1.40 -0.09 0.00 -0.96 0.00 0.00 56.93 57.92 1xtm s PHE 85 Cb -0.46 0.23 0.01 0.00 -0.34 0.00 0.00 43.02 42.46 1xtm s PHE 85 CO 0.56 -0.46 0.18 -1.01 -1.46 0.00 0.00 175.22 173.03 1xtm s HIS 86 N 2.57 -0.03 -0.21 10.12 3.76 -0.85 -2.55 115.29 128.10 1xtm s HIS 86 Ca -0.01 0.01 -0.20 0.00 -0.15 0.00 0.00 55.06 54.71 1xtm s HIS 86 Cb -0.12 -0.00 -0.02 0.00 1.11 0.00 0.00 32.58 33.54 1xtm s HIS 86 CO -0.12 -0.30 0.62 0.42 -0.85 0.00 0.00 174.74 174.52 1xtm s ILE 87 N -1.25 5.01 0.35 0.60 1.01 0.25 -1.13 121.20 126.05 1xtm s ILE 87 Ca -0.13 1.16 0.06 0.00 0.00 0.00 0.00 60.65 61.73 1xtm s ILE 87 Cb -0.07 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 1xtm s ILE 87 CO 0.02 0.09 0.50 -1.00 0.00 0.00 0.00 174.94 174.55 1xtm s HIS 88 N 2.07 3.14 -0.68 3.97 3.76 0.10 -0.89 115.29 126.77 1xtm s HIS 88 Ca 0.28 -0.14 0.25 0.00 -0.15 0.00 0.00 55.06 55.29 1xtm s HIS 88 Cb -0.16 -2.03 0.89 0.00 1.11 0.00 0.00 32.58 32.40 1xtm s HIS 88 CO 0.10 -0.05 1.75 -0.85 -0.85 0.00 0.00 174.74 174.84 1xtm n GLU 89 N -1.70 0.21 -3.79 1.40 0.28 -0.12 -1.84 120.64 115.08 1xtm n GLU 89 Ca -0.00 0.27 -0.15 0.00 -0.16 0.00 0.00 57.16 57.12 1xtm n GLU 89 Cb 0.58 -1.79 -0.16 0.00 1.43 0.00 0.00 31.44 31.50 1xtm n GLU 89 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1xtm s LYS 90 N -3.16 -0.02 -1.19 3.44 2.20 -0.97 -4.53 119.74 115.50 1xtm s LYS 90 Ca 0.09 0.15 -0.18 0.00 -0.36 0.00 0.00 55.97 55.67 1xtm s LYS 90 Cb 0.12 -0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.19 1xtm s LYS 90 CO 0.51 -0.14 2.04 0.41 -0.36 0.00 0.00 175.35 177.82 1xtm n GLY 91 N 3.98 3.31 3.08 5.54 0.00 -0.55 -3.36 105.19 117.19 1xtm n GLY 91 Ca -0.25 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 1xtm n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xtm s SER 92 N 4.18 0.18 -0.62 1.61 0.15 -1.26 -4.81 113.70 113.13 1xtm s SER 92 Ca 0.53 0.66 0.06 0.00 0.70 0.00 0.00 55.95 57.90 1xtm s SER 92 Cb 0.12 0.95 0.21 0.00 -1.71 0.00 0.00 66.02 65.59 1xtm s SER 92 CO 0.02 -0.25 0.60 0.00 1.20 0.00 0.00 173.24 174.81 1xtm s VAL 94 N -1.78 4.89 0.72 0.00 1.01 -1.26 -4.97 120.40 119.02 1xtm s VAL 94 Ca 0.34 0.89 -0.13 0.00 0.00 0.00 0.00 61.98 63.08 1xtm s VAL 94 Cb 0.08 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1xtm s VAL 94 CO -0.09 -0.21 1.10 -0.13 0.00 0.00 0.00 175.10 175.77 1xtm s ARG 95 N 2.73 2.47 0.00 2.72 0.52 -1.26 -1.54 118.95 124.59 1xtm s ARG 95 Ca 0.27 1.28 0.26 0.00 -0.52 0.00 0.00 55.73 57.02 1xtm s ARG 95 Cb -0.15 -1.92 0.64 0.00 0.52 0.00 0.00 34.95 34.05 1xtm s ARG 95 CO 0.13 -1.49 1.49 -0.35 0.02 0.00 0.00 175.30 175.10 1xtm n PRO 96 N -3.04 0.49 0.03 3.54 -0.04 -1.26 -4.80 135.00 129.92 1xtm n PRO 96 Ca 0.10 -0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1xtm n PRO 96 Cb 0.52 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1xtm n PRO 96 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xtm n ASP 97 N -1.00 0.36 -2.06 3.54 5.68 -1.23 -4.63 116.55 117.21 1xtm n ASP 97 Ca 0.09 0.14 -0.17 0.00 -0.50 0.00 0.00 54.79 54.35 1xtm n ASP 97 Cb 0.34 1.28 -0.03 0.00 -1.14 0.00 0.00 41.12 41.57 1xtm n ASP 97 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1xtm n PHE 98 N -2.47 -0.78 0.38 2.11 3.72 -0.59 -4.54 117.46 115.29 1xtm n PHE 98 Ca -0.04 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.49 1xtm n PHE 98 Cb 0.61 -3.32 0.51 0.00 -0.94 0.00 0.00 39.48 36.34 1xtm n PHE 98 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1xtm h GLU 99 N 0.00 0.00 0.00 -1.08 5.08 -1.92 -3.02 114.58 113.64 1xtm h GLU 99 Ca -0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1xtm h GLU 99 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1xtm h GLU 99 CO 0.50 0.00 -0.06 0.66 -1.00 0.00 0.00 179.01 179.11 1xtm h SER 100 N 0.00 0.00 0.00 1.42 4.64 -1.86 -0.87 113.55 116.88 1xtm h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xtm h SER 100 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1xtm h SER 100 CO 0.00 0.06 0.02 0.00 -0.87 0.00 0.00 176.83 176.04 1xtm h ALA 101 N 1.94 1.02 0.00 5.18 0.00 -1.21 -3.43 119.26 122.75 1xtm h ALA 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xtm h ALA 101 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xtm h ALA 101 CO 0.01 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1xtm n GLY 102 N -1.19 -1.05 3.93 0.00 0.00 -0.33 -2.30 105.19 104.25 1xtm n GLY 102 Ca -0.02 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 1xtm n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xtm s GLY 103 N 0.00 2.30 0.47 -0.02 0.00 -1.26 -4.63 107.32 104.18 1xtm s GLY 103 Ca 0.00 -1.31 -0.24 0.00 0.00 0.00 0.00 44.72 43.17 1xtm s GLY 103 CO 0.00 -1.92 1.29 0.30 0.00 0.00 0.00 173.10 172.77 1xtm s HIS 104 N -2.79 2.64 -0.02 1.90 3.76 -1.26 -0.94 115.29 118.58 1xtm s HIS 104 Ca 0.37 1.42 -0.30 0.00 -0.15 0.00 0.00 55.06 56.40 1xtm s HIS 104 Cb -0.03 -3.65 -0.06 0.00 1.11 0.00 0.00 32.58 29.95 1xtm s HIS 104 CO 0.23 -2.26 1.61 0.12 -0.85 0.00 0.00 174.74 173.60 1xtm s PHE 105 N -1.34 2.19 -0.39 1.40 5.99 -0.07 -4.60 117.98 121.17 1xtm s PHE 105 Ca 0.64 0.31 0.11 0.00 0.00 0.00 0.00 56.93 57.99 1xtm s PHE 105 Cb -0.37 -3.89 0.36 0.00 0.00 0.00 0.00 43.02 39.12 1xtm s PHE 105 CO 0.45 -3.64 0.87 -1.71 -0.00 0.00 0.00 175.22 171.19 1xtm n ASN 106 N 6.59 0.06 0.12 6.13 5.15 -1.26 -1.17 115.26 130.87 1xtm n ASN 106 Ca 0.16 -3.11 0.05 0.00 -0.60 0.00 0.00 54.58 51.08 1xtm n ASN 106 Cb 0.42 0.04 0.48 0.00 -0.53 0.00 0.00 39.78 40.20 1xtm n ASN 106 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xtm h PRO 107 N 2.96 0.27 -0.10 1.20 0.13 -1.91 -2.24 132.00 132.31 1xtm h PRO 107 Ca 0.01 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1xtm h PRO 107 Cb 1.04 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1xtm h PRO 107 CO 0.39 0.26 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 1xtm n LEU 108 N -4.42 1.42 -3.68 1.56 4.32 -1.26 -4.98 117.00 109.96 1xtm n LEU 108 Ca -0.00 -0.55 -0.22 0.00 -0.02 0.00 0.00 56.01 55.22 1xtm n LEU 108 Cb 0.14 -0.06 0.03 0.00 -1.62 0.00 0.00 43.42 41.92 1xtm n LEU 108 CO 0.36 0.28 -0.07 -3.20 -1.22 0.00 0.00 177.39 173.54 1xtm n ASN 109 N 0.13 -1.84 -5.01 -1.43 5.15 -0.85 -5.04 115.26 106.38 1xtm n ASN 109 Ca 0.17 -0.84 -0.18 0.00 -0.60 0.00 0.00 54.58 53.13 1xtm n ASN 109 Cb 0.31 -4.04 0.03 0.00 -0.53 0.00 0.00 39.78 35.55 1xtm n ASN 109 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xtm s LYS 110 N -5.90 2.63 0.81 1.20 1.02 -1.26 -5.12 119.74 113.12 1xtm s LYS 110 Ca 0.07 -1.34 -0.10 0.00 0.02 0.00 0.00 55.97 54.62 1xtm s LYS 110 Cb -0.02 -2.71 0.11 0.00 -0.52 0.00 0.00 37.83 34.70 1xtm s LYS 110 CO 0.81 -0.49 1.14 -1.21 -0.92 0.00 0.00 175.35 174.68 1xtm s GLU 111 N -4.48 1.64 0.28 1.68 2.02 -0.77 -4.70 118.70 114.36 1xtm s GLU 111 Ca 0.57 -0.31 -0.29 0.00 0.02 0.00 0.00 54.97 54.97 1xtm s GLU 111 Cb -0.09 -2.04 -0.09 0.00 0.10 0.00 0.00 34.13 32.01 1xtm s GLU 111 CO 0.35 -1.69 1.01 -1.58 0.02 0.00 0.00 175.26 173.38 1xtm s HIS 112 N -3.50 3.73 0.00 1.61 5.65 -1.26 -2.72 115.29 118.80 1xtm s HIS 112 Ca 0.65 1.80 0.00 0.00 0.25 0.00 0.00 55.06 57.76 1xtm s HIS 112 Cb -0.08 -3.10 0.00 0.00 -1.18 0.00 0.00 32.58 28.21 1xtm s HIS 112 CO 0.48 -0.06 0.00 0.41 -0.65 0.00 0.00 174.74 174.92 1xtm n GLY 113 N 1.16 3.15 0.32 1.59 0.00 -1.26 -4.45 105.19 105.71 1xtm n GLY 113 Ca -0.01 -1.34 0.15 0.00 0.00 0.00 0.00 46.02 44.83 1xtm n GLY 113 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xtm h PHE 114 N 0.00 0.00 -0.25 1.61 0.05 -1.91 -2.27 116.94 114.16 1xtm h PHE 114 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1xtm h PHE 114 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.95 1xtm h PHE 114 CO 0.00 0.00 0.00 0.09 -0.18 0.00 0.00 178.31 178.22 1xtm n ASN 115 N -4.19 3.22 -4.59 2.17 3.02 0.10 -4.87 115.26 110.12 1xtm n ASN 115 Ca 0.02 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.20 1xtm n ASN 115 Cb 0.32 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.27 1xtm n ASN 115 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xtm s ASN 116 N -1.59 6.44 0.61 6.41 3.84 -0.85 -4.93 114.94 124.86 1xtm s ASN 116 Ca 0.33 0.33 0.36 0.00 0.21 0.00 0.00 52.86 54.10 1xtm s ASN 116 Cb 0.21 -2.31 2.02 0.00 -0.55 0.00 0.00 41.25 40.62 1xtm s ASN 116 CO 0.30 -0.44 2.27 1.55 -2.79 0.00 0.00 177.10 177.98 1xtm h PRO 117 N 8.23 0.00 -0.01 0.43 0.14 -1.89 0.35 132.00 139.25 1xtm h PRO 117 Ca -0.27 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.87 1xtm h PRO 117 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.26 1xtm h PRO 117 CO 0.78 0.02 -0.05 -1.33 0.14 0.00 0.00 178.00 177.55 1xtm n MET 118 N -3.45 1.04 -1.70 0.86 2.81 -1.26 -4.93 117.12 110.49 1xtm n MET 118 Ca -0.03 -0.38 -0.30 0.00 -1.81 0.00 0.00 57.70 55.19 1xtm n MET 118 Cb 0.11 -1.49 0.19 0.00 -0.71 0.00 0.00 33.22 31.32 1xtm n MET 118 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1xtm s GLY 119 N -2.22 1.72 0.15 3.03 0.00 0.12 -1.85 107.32 108.27 1xtm s GLY 119 Ca 0.36 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 1xtm s GLY 119 CO 0.41 -0.31 0.06 -2.38 0.00 0.00 0.00 173.10 170.88 1xtm s HIS 120 N -3.63 0.98 0.41 1.90 -3.43 -1.25 -4.79 115.29 105.48 1xtm s HIS 120 Ca 0.72 -1.23 -0.26 0.00 -0.80 0.00 0.00 55.06 53.50 1xtm s HIS 120 Cb -0.06 -0.54 -0.09 0.00 -1.43 0.00 0.00 32.58 30.46 1xtm s HIS 120 CO 0.54 -0.49 1.33 -1.01 -2.00 0.00 0.00 174.74 173.11 1xtm s HIS 121 N -4.00 2.75 0.46 0.38 3.76 -1.10 -4.73 115.29 112.81 1xtm s HIS 121 Ca 0.27 1.38 0.19 0.00 -0.15 0.00 0.00 55.06 56.74 1xtm s HIS 121 Cb 0.07 -3.73 1.17 0.00 1.11 0.00 0.00 32.58 31.21 1xtm s HIS 121 CO 0.04 -2.27 1.95 0.00 -0.85 0.00 0.00 174.74 173.62 1xtm h ALA 122 N 2.64 2.24 -0.03 -1.40 0.00 -1.82 -0.29 119.26 120.59 1xtm h ALA 122 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xtm h ALA 122 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xtm h ALA 122 CO 0.62 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1xtm n GLY 123 N -1.56 -0.56 3.69 0.00 0.00 -0.32 -4.53 105.19 101.90 1xtm n GLY 123 Ca 0.12 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1xtm n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xtm s ASP 124 N -1.85 7.24 0.27 1.61 -0.00 -0.12 -0.58 116.67 123.24 1xtm s ASP 124 Ca 0.39 1.55 0.08 0.00 -0.00 0.00 0.00 52.55 54.57 1xtm s ASP 124 Cb 0.19 -2.56 -0.06 0.00 -0.00 0.00 0.00 42.92 40.50 1xtm s ASP 124 CO 0.31 -0.45 -0.11 -0.76 -0.00 0.00 0.00 175.17 174.17 1xtm s LEU 125 N 1.99 2.56 0.64 1.23 1.43 -1.06 -4.97 118.68 120.50 1xtm s LEU 125 Ca 0.49 -1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.31 1xtm s LEU 125 Cb -0.19 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 1xtm s LEU 125 CO 0.19 -0.22 1.10 -2.84 0.23 0.00 0.00 176.35 174.81 1xtm s PRO 126 N -3.65 2.91 0.39 1.29 0.02 -1.26 -4.54 135.00 130.15 1xtm s PRO 126 Ca 0.29 1.37 -0.25 0.00 0.02 0.00 0.00 61.00 62.42 1xtm s PRO 126 Cb 0.01 -1.97 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 1xtm s PRO 126 CO 0.12 -1.16 1.04 0.09 -0.33 0.00 0.00 177.00 176.76 1xtm n ASN 127 N -2.31 1.42 -4.72 2.53 5.03 -1.26 -4.54 115.26 111.40 1xtm n ASN 127 Ca 0.10 1.07 -0.41 0.00 0.87 0.00 0.00 54.58 56.21 1xtm n ASN 127 Cb 0.52 -1.36 -0.04 0.00 -1.02 0.00 0.00 39.78 37.88 1xtm n ASN 127 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xtm s LEU 128 N -0.45 4.43 -0.40 3.41 1.43 -0.24 -4.84 118.68 122.03 1xtm s LEU 128 Ca 0.62 1.68 -0.08 0.00 -1.03 0.00 0.00 54.13 55.32 1xtm s LEU 128 Cb -0.58 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.19 1xtm s LEU 128 CO 0.58 -0.14 0.22 -1.61 0.23 0.00 0.00 176.35 175.62 1xtm s GLU 129 N 0.46 2.53 0.19 1.70 0.41 -1.26 -1.00 118.70 121.74 1xtm s GLU 129 Ca 0.48 -1.45 -0.30 0.00 -0.41 0.00 0.00 54.97 53.29 1xtm s GLU 129 Cb -0.22 -3.68 -0.08 0.00 -1.78 0.00 0.00 34.13 28.37 1xtm s GLU 129 CO 0.28 -0.91 0.94 0.08 -0.49 0.00 0.00 175.26 175.16 1xtm s VAL 130 N 1.38 4.23 0.97 2.63 1.01 -0.32 -4.85 120.40 125.45 1xtm s VAL 130 Ca 0.03 2.07 -0.15 0.00 0.00 0.00 0.00 61.98 63.93 1xtm s VAL 130 Cb -0.22 -4.32 0.18 0.00 0.00 0.00 0.00 36.38 32.02 1xtm s VAL 130 CO 0.01 0.44 1.21 -0.83 0.00 0.00 0.00 175.10 175.93 1xtm s GLY 131 N -0.77 1.66 0.53 4.51 0.00 -0.34 -1.29 107.32 111.62 1xtm s GLY 131 Ca 0.43 -0.89 0.31 0.00 0.00 0.00 0.00 44.72 44.56 1xtm s GLY 131 CO 0.31 -0.20 1.99 0.00 0.00 0.00 0.00 173.10 175.21 1xtm h ALA 132 N -1.70 1.06 -1.04 3.20 0.00 -1.91 -0.44 119.26 118.42 1xtm h ALA 132 Ca -0.46 -0.08 0.29 0.00 0.00 0.00 0.00 54.91 54.66 1xtm h ALA 132 Cb 1.29 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 1xtm h ALA 132 CO 0.48 0.11 0.63 0.22 0.00 0.00 0.00 179.25 180.69 1xtm h ASP 133 N 0.00 0.53 0.00 0.00 1.82 -1.96 -3.46 116.42 113.35 1xtm h ASP 133 Ca -0.00 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1xtm h ASP 133 Cb 0.50 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.58 1xtm h ASP 133 CO 0.01 -0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.25 1xtm n GLY 134 N -1.36 0.70 3.53 -0.78 0.00 -0.19 -4.80 105.19 102.29 1xtm n GLY 134 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1xtm n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtm s LYS 135 N -0.33 1.98 -0.03 1.61 1.02 -1.26 -0.74 119.74 121.99 1xtm s LYS 135 Ca 0.00 -1.08 0.04 0.00 0.02 0.00 0.00 55.97 54.94 1xtm s LYS 135 Cb 0.00 -2.22 -0.00 0.00 -0.52 0.00 0.00 37.83 35.09 1xtm s LYS 135 CO 0.00 0.50 -0.14 0.54 -0.92 0.00 0.00 175.35 175.33 1xtm s VAL 136 N -1.16 1.17 -0.36 3.17 0.11 -0.65 -1.20 120.40 121.48 1xtm s VAL 136 Ca 0.19 -0.59 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1xtm s VAL 136 Cb -0.11 -1.01 0.16 0.00 -1.53 0.00 0.00 36.38 33.89 1xtm s VAL 136 CO 0.11 0.34 0.40 -0.62 -3.33 0.00 0.00 175.10 172.01 1xtm s ASP 137 N 0.00 0.79 0.15 3.54 2.15 -1.24 -0.32 116.67 121.74 1xtm s ASP 137 Ca -0.01 -1.24 -0.10 0.00 0.43 0.00 0.00 52.55 51.62 1xtm s ASP 137 Cb -0.09 0.79 0.00 0.00 -0.30 0.00 0.00 42.92 43.32 1xtm s ASP 137 CO 0.01 -0.27 0.30 0.68 -0.17 0.00 0.00 175.17 175.72 1xtm s VAL 138 N 1.73 0.08 -0.16 1.11 -7.23 -0.42 -5.00 120.40 110.51 1xtm s VAL 138 Ca 0.15 -1.21 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 1xtm s VAL 138 Cb -0.13 -1.65 0.02 0.00 0.56 0.00 0.00 36.38 35.17 1xtm s VAL 138 CO -0.11 -0.35 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.54 1xtm s ILE 139 N -3.92 1.75 0.13 -0.62 1.09 -1.26 -0.69 121.20 117.68 1xtm s ILE 139 Ca 0.12 -0.75 0.11 0.00 -1.10 0.00 0.00 60.65 59.03 1xtm s ILE 139 Cb 0.03 -1.61 -0.04 0.00 -1.06 0.00 0.00 42.46 39.78 1xtm s ILE 139 CO -0.04 0.49 -0.26 0.00 -0.10 0.00 0.00 174.94 175.03 1xtm s MET 140 N 1.37 1.44 0.02 2.79 0.23 -0.20 -4.93 119.30 120.03 1xtm s MET 140 Ca 0.04 -1.34 -0.17 0.00 -1.03 0.00 0.00 55.69 53.19 1xtm s MET 140 Cb -0.13 -1.92 -0.06 0.00 -1.53 0.00 0.00 34.83 31.19 1xtm s MET 140 CO -0.11 0.45 0.48 1.21 -2.03 0.00 0.00 175.02 175.02 1xtm s ASN 141 N -2.09 6.90 -0.64 -1.18 3.84 -1.26 -0.39 114.94 120.11 1xtm s ASN 141 Ca 0.15 1.07 0.04 0.00 0.21 0.00 0.00 52.86 54.33 1xtm s ASN 141 Cb -0.10 -2.30 0.15 0.00 -0.55 0.00 0.00 41.25 38.46 1xtm s ASN 141 CO 0.07 0.28 0.41 0.00 -2.79 0.00 0.00 177.10 175.06 1xtm s ALA 142 N -0.95 3.63 0.27 1.71 0.00 0.92 -4.93 121.76 122.41 1xtm s ALA 142 Ca 0.26 -3.62 0.37 0.00 0.00 0.00 0.00 51.96 48.97 1xtm s ALA 142 Cb -0.18 -2.18 1.72 0.00 0.00 0.00 0.00 23.12 22.48 1xtm s ALA 142 CO 0.15 -2.07 2.10 -1.00 0.00 0.00 0.00 175.76 174.95 1xtm h PRO 143 N 5.85 0.00 -1.60 0.00 0.13 -1.79 -2.25 132.00 132.34 1xtm h PRO 143 Ca 0.06 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.51 1xtm h PRO 143 Cb 0.81 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.60 1xtm h PRO 143 CO 0.71 0.00 0.29 -0.25 -0.23 0.00 0.00 178.00 178.52 1xtm n ASP 144 N -3.03 6.41 -4.11 1.44 8.00 -1.26 -3.71 116.55 120.29 1xtm n ASP 144 Ca -0.01 -3.79 -0.10 0.00 0.71 0.00 0.00 54.79 51.60 1xtm n ASP 144 Cb 0.21 -0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 40.43 1xtm n ASP 144 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xtm s THR 145 N -5.15 0.05 0.17 -3.53 -4.23 -1.17 -4.74 115.64 97.04 1xtm s THR 145 Ca 0.52 -1.78 -0.21 0.00 -1.18 0.00 0.00 61.69 59.04 1xtm s THR 145 Cb 0.43 -2.17 0.06 0.00 1.34 0.00 0.00 72.50 72.16 1xtm s THR 145 CO -0.25 -0.23 0.57 -0.55 -0.54 0.00 0.00 174.62 173.62 1xtm s SER 146 N -3.07 -0.47 0.00 3.99 0.15 -0.24 -3.85 113.70 110.22 1xtm s SER 146 Ca 0.27 -0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.86 1xtm s SER 146 Cb 0.06 0.59 0.07 0.00 -1.71 0.00 0.00 66.02 65.02 1xtm s SER 146 CO 0.06 -0.99 0.76 0.18 1.20 0.00 0.00 173.24 174.45 1xtm n LEU 147 N -0.36 1.68 -4.70 3.45 4.77 -1.26 -0.81 117.00 119.76 1xtm n LEU 147 Ca -0.15 -1.04 -0.42 0.00 -0.03 0.00 0.00 56.01 54.36 1xtm n LEU 147 Cb 0.64 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1xtm n LEU 147 CO 0.13 0.34 0.74 -0.54 -1.33 0.00 0.00 177.39 176.74 1xtm s LYS 148 N -0.65 4.50 0.43 3.23 1.02 -1.26 -4.73 119.74 122.28 1xtm s LYS 148 Ca 0.09 1.44 0.16 0.00 0.02 0.00 0.00 55.97 57.68 1xtm s LYS 148 Cb 0.06 -3.49 1.06 0.00 -0.52 0.00 0.00 37.83 34.95 1xtm s LYS 148 CO 0.10 -0.17 1.94 0.87 -0.92 0.00 0.00 175.35 177.16 1xtm h LYS 149 N 6.93 0.38 0.00 1.68 1.57 -1.96 -0.97 116.57 124.20 1xtm h LYS 149 Ca -0.37 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1xtm h LYS 149 Cb 1.19 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1xtm h LYS 149 CO 0.80 0.25 0.00 0.78 -0.57 0.00 0.00 179.45 180.71 1xtm h GLY 150 N 0.39 0.00 -3.83 3.86 0.00 -2.01 -3.47 103.07 98.01 1xtm h GLY 150 Ca 0.34 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.15 1xtm h GLY 150 CO -0.10 0.00 0.17 -0.45 0.00 0.00 0.00 176.54 176.16 1xtm s SER 151 N -4.81 7.26 0.48 0.19 0.15 -0.37 -4.95 113.70 111.65 1xtm s SER 151 Ca 0.05 1.58 0.23 0.00 0.70 0.00 0.00 55.95 58.51 1xtm s SER 151 Cb 0.09 -2.48 1.25 0.00 -1.71 0.00 0.00 66.02 63.17 1xtm s SER 151 CO 0.49 0.11 2.01 0.11 1.20 0.00 0.00 173.24 177.16 1xtm h LYS 152 N 3.86 0.00 -0.63 5.44 1.57 -1.90 -2.89 116.57 122.02 1xtm h LYS 152 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1xtm h LYS 152 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1xtm h LYS 152 CO 0.65 0.17 0.00 1.28 -0.57 0.00 0.00 179.45 180.99 1xtm n LEU 153 N -3.77 3.98 -4.66 2.94 4.77 -1.26 -4.77 117.00 114.23 1xtm n LEU 153 Ca -0.02 -2.01 -0.43 0.00 -0.03 0.00 0.00 56.01 53.53 1xtm n LEU 153 Cb 0.28 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1xtm n LEU 153 CO 0.32 0.67 1.26 0.21 -1.33 0.00 0.00 177.39 178.53 1xtm s ASN 154 N -0.81 6.75 0.03 -1.43 2.47 -1.09 -1.08 114.94 119.78 1xtm s ASN 154 Ca 0.42 1.99 0.23 0.00 0.42 0.00 0.00 52.86 55.91 1xtm s ASN 154 Cb 0.27 -2.53 -0.01 0.00 -1.45 0.00 0.00 41.25 37.53 1xtm s ASN 154 CO 0.20 -0.89 0.98 2.30 -3.72 0.00 0.00 177.10 175.98 1xtm n ILE 155 N 5.50 0.11 -1.75 -5.21 -5.35 0.01 -4.14 119.36 108.53 1xtm n ILE 155 Ca 0.16 -0.20 -0.36 0.00 -0.27 0.00 0.00 62.75 62.08 1xtm n ILE 155 Cb 0.44 0.35 0.02 0.00 -1.74 0.00 0.00 39.64 38.71 1xtm n ILE 155 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1xtm n LEU 156 N -1.86 7.26 0.00 7.28 -0.00 -1.26 -3.16 117.00 125.27 1xtm n LEU 156 Ca 0.02 -4.58 0.00 0.00 -0.00 0.00 0.00 56.01 51.45 1xtm n LEU 156 Cb 0.42 -1.10 0.00 0.00 -0.00 0.00 0.00 43.42 42.73 1xtm n LEU 156 CO 0.41 1.72 0.00 -0.90 -0.00 0.00 0.00 177.39 178.62 1xtm n ASP 157 N -0.20 0.00 -0.10 1.96 5.75 -1.26 -4.89 116.55 117.81 1xtm n ASP 157 Ca 0.53 -0.80 0.01 0.00 -0.01 0.00 0.00 54.79 54.52 1xtm n ASP 157 Cb 0.35 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.75 1xtm n ASP 157 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xtm h GLU 158 N 0.00 0.75 0.07 0.11 4.57 -1.94 -2.02 114.58 116.12 1xtm h GLU 158 Ca 0.00 -0.07 -0.24 0.00 -1.18 0.00 0.00 59.36 57.87 1xtm h GLU 158 Cb 0.00 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1xtm h GLU 158 CO 0.00 0.55 -1.10 -0.44 -1.18 0.00 0.00 179.01 176.83 1xtm h ASP 159 N 0.76 0.30 -1.69 1.04 3.32 -1.91 -3.39 116.42 114.86 1xtm h ASP 159 Ca 0.20 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1xtm h ASP 159 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1xtm h ASP 159 CO -0.03 1.20 0.00 0.61 -1.72 0.00 0.00 179.24 179.30 1xtm n GLY 160 N 1.34 -1.08 3.21 2.75 0.00 -0.76 -1.48 105.19 109.17 1xtm n GLY 160 Ca -0.05 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 1xtm n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xtm s SER 161 N -4.00 0.22 -0.03 1.61 0.01 -0.55 -2.96 113.70 108.00 1xtm s SER 161 Ca 0.00 -1.13 0.04 0.00 1.31 0.00 0.00 55.95 56.17 1xtm s SER 161 Cb 0.00 0.35 -0.00 0.00 0.21 0.00 0.00 66.02 66.57 1xtm s SER 161 CO 0.00 -0.79 -0.16 0.00 0.41 0.00 0.00 173.24 172.70 1xtm s ALA 162 N -4.04 1.40 -0.14 1.44 0.00 -0.77 -0.36 121.76 119.28 1xtm s ALA 162 Ca 0.24 -0.65 -0.19 0.00 0.00 0.00 0.00 51.96 51.36 1xtm s ALA 162 Cb 0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1xtm s ALA 162 CO 0.03 0.27 0.54 -0.06 0.00 0.00 0.00 175.76 176.54 1xtm s PHE 163 N -0.05 3.46 -0.07 0.00 0.08 0.32 0.01 117.98 121.74 1xtm s PHE 163 Ca -0.01 0.92 0.03 0.00 0.12 0.00 0.00 56.93 57.98 1xtm s PHE 163 Cb -0.10 -2.66 0.01 0.00 -0.57 0.00 0.00 43.02 39.70 1xtm s PHE 163 CO 0.01 0.03 -0.15 0.42 -0.10 0.00 0.00 175.22 175.43 1xtm s ILE 164 N 1.12 1.33 -0.11 0.64 1.01 -0.28 -1.35 121.20 123.56 1xtm s ILE 164 Ca 0.28 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 1xtm s ILE 164 Cb -0.16 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1xtm s ILE 164 CO 0.11 0.40 0.07 -0.63 0.00 0.00 0.00 174.94 174.88 1xtm s ILE 165 N 0.47 4.87 0.47 2.92 1.01 -0.46 -2.02 121.20 128.46 1xtm s ILE 165 Ca -0.13 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.56 1xtm s ILE 165 Cb -0.15 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1xtm s ILE 165 CO 0.04 0.60 0.38 -1.00 0.00 0.00 0.00 174.94 174.96 1xtm s HIS 166 N -0.81 2.24 -0.31 3.97 3.76 -0.05 -0.29 115.29 123.79 1xtm s HIS 166 Ca 0.13 -0.64 0.25 0.00 -0.15 0.00 0.00 55.06 54.65 1xtm s HIS 166 Cb -0.12 -2.05 0.57 0.00 1.11 0.00 0.00 32.58 32.09 1xtm s HIS 166 CO 0.03 -0.26 1.69 1.05 -0.85 0.00 0.00 174.74 176.40 1xtm h GLU 167 N 0.94 0.00 -4.30 1.40 4.11 -1.07 -3.37 114.58 112.30 1xtm h GLU 167 Ca -0.39 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.86 1xtm h GLU 167 Cb 1.28 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.39 1xtm h GLU 167 CO 0.58 0.01 -0.50 -1.14 0.07 0.00 0.00 179.01 178.03 1xtm s GLN 168 N -3.31 1.19 0.50 1.06 0.74 -1.02 -4.96 119.66 113.87 1xtm s GLN 168 Ca 0.06 -1.46 -0.22 0.00 0.05 0.00 0.00 55.36 53.79 1xtm s GLN 168 Cb 0.06 0.31 -0.06 0.00 1.10 0.00 0.00 33.01 34.42 1xtm s GLN 168 CO 0.64 -0.41 1.18 0.00 -0.55 0.00 0.00 175.29 176.16 1xtm s ALA 169 N -4.08 2.85 -0.09 1.58 0.00 -0.84 -0.99 121.76 120.18 1xtm s ALA 169 Ca 0.30 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.95 1xtm s ALA 169 Cb 0.05 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1xtm s ALA 169 CO 0.08 -0.81 0.91 0.34 0.00 0.00 0.00 175.76 176.27 1xtm s ASP 170 N -1.43 7.16 0.00 0.00 -1.08 -1.26 -3.87 116.67 116.20 1xtm s ASP 170 Ca 0.68 1.42 0.30 0.00 -0.52 0.00 0.00 52.55 54.43 1xtm s ASP 170 Cb -0.29 -2.51 1.42 0.00 -1.46 0.00 0.00 42.92 40.08 1xtm s ASP 170 CO 0.34 -0.34 1.96 -0.90 0.52 0.00 0.00 175.17 176.75 1xtm n ASP 171 N 4.61 0.82 -1.15 -0.34 5.68 -0.45 -4.92 116.55 120.79 1xtm n ASP 171 Ca 0.05 -1.25 -0.13 0.00 -0.50 0.00 0.00 54.79 52.97 1xtm n ASP 171 Cb 0.50 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 1xtm n ASP 171 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1xtm n TYR 172 N -0.38 -0.21 0.00 2.11 0.53 -1.26 -4.73 117.16 113.23 1xtm n TYR 172 Ca 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.09 1xtm n TYR 172 Cb 0.25 -2.51 0.00 0.00 -1.03 0.00 0.00 39.34 36.05 1xtm n TYR 172 CO 0.00 0.00 0.00 -0.11 -1.02 0.00 0.00 176.86 175.73 1xtm n LEU 173 N -1.60 0.00 -4.73 7.72 7.94 -1.26 -0.72 117.00 124.35 1xtm n LEU 173 Ca -0.14 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.35 1xtm n LEU 173 Cb 0.49 0.12 -0.04 0.00 0.53 0.00 0.00 43.42 44.51 1xtm n LEU 173 CO 0.19 -0.29 0.67 -0.89 -1.11 0.00 0.00 177.39 175.96 1xtm s THR 174 N -1.57 4.56 0.50 1.96 2.01 -1.26 -4.75 115.64 117.09 1xtm s THR 174 Ca 0.00 2.07 -0.19 0.00 0.31 0.00 0.00 61.69 63.88 1xtm s THR 174 Cb 0.00 -4.32 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 1xtm s THR 174 CO 0.00 0.29 1.02 0.20 -0.69 0.00 0.00 174.62 175.45 1xtm s ASN 175 N 0.16 6.34 0.00 3.53 0.01 -1.26 0.08 114.94 123.80 1xtm s ASN 175 Ca 0.48 1.84 0.25 0.00 -0.71 0.00 0.00 52.86 54.71 1xtm s ASN 175 Cb -0.23 -2.55 0.40 0.00 0.41 0.00 0.00 41.25 39.28 1xtm s ASN 175 CO 0.30 -0.78 1.38 -0.81 -1.51 0.00 0.00 177.10 175.67 1xtm n PRO 176 N -1.20 2.21 -0.28 -0.60 -0.04 -1.26 -4.67 135.00 129.16 1xtm n PRO 176 Ca 0.09 -1.77 0.04 0.00 -0.04 0.00 0.00 63.50 61.81 1xtm n PRO 176 Cb 0.53 -1.47 0.05 0.00 -0.04 0.00 0.00 33.50 32.57 1xtm n PRO 176 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xtm n SER 177 N 1.12 0.98 -0.99 3.54 3.41 -1.21 -4.62 113.62 115.84 1xtm n SER 177 Ca 0.16 -2.33 -0.12 0.00 -0.26 0.00 0.00 58.87 56.32 1xtm n SER 177 Cb 0.55 -0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 1xtm n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xtm n GLY 178 N -0.56 1.01 3.17 5.00 0.00 0.11 -2.67 105.19 111.25 1xtm n GLY 178 Ca 0.06 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 1xtm n GLY 178 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xtm n ASN 179 N 0.03 -6.01 0.08 1.61 2.85 -1.26 -1.34 115.26 111.22 1xtm n ASN 179 Ca -0.12 -0.35 0.12 0.00 -0.11 0.00 0.00 54.58 54.11 1xtm n ASN 179 Cb 0.43 -4.84 0.45 0.00 1.24 0.00 0.00 39.78 37.07 1xtm n ASN 179 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1xtm n SER 180 N -2.61 0.50 0.00 1.20 7.64 -1.09 -4.72 113.62 114.54 1xtm n SER 180 Ca -0.08 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1xtm n SER 180 Cb 0.60 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1xtm n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xtm n GLY 181 N 0.57 -0.26 3.60 0.23 0.00 -1.26 -2.43 105.19 105.64 1xtm n GLY 181 Ca 0.04 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 1xtm n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtm n ALA 182 N 2.49 -0.26 -2.63 4.61 0.00 -1.26 -4.64 120.51 118.82 1xtm n ALA 182 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1xtm n ALA 182 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 1xtm n ALA 182 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xtm s ARG 183 N -3.20 4.06 -0.01 0.00 0.52 -1.26 -1.13 118.95 117.93 1xtm s ARG 183 Ca 0.73 0.80 0.09 0.00 -0.52 0.00 0.00 55.73 56.83 1xtm s ARG 183 Cb -0.36 -3.70 -0.12 0.00 0.52 0.00 0.00 34.95 31.29 1xtm s ARG 183 CO 0.50 -0.65 0.24 0.44 0.02 0.00 0.00 175.30 175.85 1xtm n ILE 184 N 5.47 0.00 -3.76 1.52 -5.35 0.60 -4.80 119.36 113.05 1xtm n ILE 184 Ca 0.06 -0.23 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 1xtm n ILE 184 Cb 0.48 0.49 -0.13 0.00 -1.74 0.00 0.00 39.64 38.74 1xtm n ILE 184 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1xtm s VAL 185 N -2.39 -0.03 -0.01 7.28 1.01 -1.02 -3.04 120.40 122.22 1xtm s VAL 185 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1xtm s VAL 185 Cb 0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 36.11 1xtm s VAL 185 CO 0.36 0.04 -0.05 0.00 0.00 0.00 0.00 175.10 175.45 1xtm s GLY 187 N -0.07 0.04 -0.19 0.00 0.00 -0.45 -1.53 107.32 105.12 1xtm s GLY 187 Ca 0.01 0.21 -0.09 0.00 0.00 0.00 0.00 44.72 44.86 1xtm s GLY 187 CO -0.00 0.41 0.10 0.00 0.00 0.00 0.00 173.10 173.61 1xtm s ALA 188 N 0.59 3.58 -0.41 3.20 0.00 -1.26 -0.52 121.76 126.93 1xtm s ALA 188 Ca -0.05 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 1xtm s ALA 188 Cb -0.07 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 21.02 1xtm s ALA 188 CO -0.02 0.19 0.41 -1.17 0.00 0.00 0.00 175.76 175.17 1xtm s LEU 189 N 0.29 4.86 0.47 0.00 2.96 0.51 -4.82 118.68 122.94 1xtm s LEU 189 Ca 0.06 -0.66 -0.11 0.00 -0.22 0.00 0.00 54.13 53.20 1xtm s LEU 189 Cb -0.12 -2.34 -0.06 0.00 0.50 0.00 0.00 46.19 44.17 1xtm s LEU 189 CO -0.01 -0.53 0.85 -0.76 -1.32 0.00 0.00 176.35 174.58 1xtm s LEU 190 N 2.05 3.67 0.00 -0.68 1.43 -1.26 -1.48 118.68 122.40 1xtm s LEU 190 Ca 0.11 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 1xtm s LEU 190 Cb -0.17 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 41.89 1xtm s LEU 190 CO 0.13 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.78