#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4i s PHE 41 N 0.00 3.39 0.00 0.00 0.40 -1.26 -4.75 117.98 115.76 1s4i s PHE 41 Ca 0.00 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.56 1s4i s PHE 41 Cb 0.00 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1s4i s PHE 41 CO 0.00 0.58 0.00 0.41 0.70 0.00 0.00 175.22 176.91 1s4i n GLY 42 N 0.71 0.04 2.74 4.36 0.00 0.11 -4.89 105.19 108.25 1s4i n GLY 42 Ca -0.09 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1s4i n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s4i n HIS 43 N -0.82 2.68 -1.58 1.61 8.25 -1.25 -4.89 115.22 119.23 1s4i n HIS 43 Ca 0.00 -2.74 -0.52 0.00 -0.26 0.00 0.00 57.72 54.20 1s4i n HIS 43 Cb 0.00 -1.73 -0.06 0.00 1.12 0.00 0.00 29.99 29.32 1s4i n HIS 43 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1s4i n HIS 44 N 2.39 1.91 -4.93 4.41 -0.00 -1.26 -4.54 115.22 113.19 1s4i n HIS 44 Ca 0.46 0.27 -0.33 0.00 0.46 0.00 0.00 57.72 58.59 1s4i n HIS 44 Cb 0.31 -2.55 -0.15 0.00 -0.12 0.00 0.00 29.99 27.48 1s4i n HIS 44 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1s4i s VAL 45 N 5.52 2.74 0.04 3.57 -7.23 0.32 -4.96 120.40 120.40 1s4i s VAL 45 Ca 1.02 -0.79 -0.28 0.00 -1.81 0.00 0.00 61.98 60.13 1s4i s VAL 45 Cb -0.87 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 1s4i s VAL 45 CO 0.54 0.54 0.87 -1.10 -0.31 0.00 0.00 175.10 175.65 1s4i s GLN 46 N 0.16 4.56 -0.09 4.82 -0.21 -1.26 -1.13 119.66 126.52 1s4i s GLN 46 Ca -0.09 1.24 -0.16 0.00 0.02 0.00 0.00 55.36 56.37 1s4i s GLN 46 Cb -0.15 -3.40 -0.05 0.00 1.00 0.00 0.00 33.01 30.40 1s4i s GLN 46 CO 0.06 0.14 0.42 -0.51 -2.12 0.00 0.00 175.29 173.28 1s4i s LEU 47 N 0.36 4.34 0.03 2.90 1.43 0.10 -4.41 118.68 123.43 1s4i s LEU 47 Ca 0.44 0.81 0.08 0.00 -1.03 0.00 0.00 54.13 54.43 1s4i s LEU 47 Cb -0.21 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 1s4i s LEU 47 CO 0.26 0.13 -0.24 0.68 0.23 0.00 0.00 176.35 177.41 1s4i s VAL 48 N 0.03 1.89 0.00 -1.59 -7.23 -0.51 -0.44 120.40 112.56 1s4i s VAL 48 Ca 0.23 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 1s4i s VAL 48 Cb -0.15 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.17 1s4i s VAL 48 CO 0.10 0.34 0.00 -0.46 -0.31 0.00 0.00 175.10 174.77 1s4i n ASN 49 N 1.97 0.00 0.20 4.85 0.23 -0.75 -1.54 115.26 120.22 1s4i n ASN 49 Ca -0.17 -0.82 0.08 0.00 -0.53 0.00 0.00 54.58 53.14 1s4i n ASN 49 Cb 0.52 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.54 1s4i n ASN 49 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1s4i h ARG 50 N 0.00 0.00 -0.64 -3.83 3.08 -1.80 -2.76 114.38 108.43 1s4i h ARG 50 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s4i h ARG 50 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1s4i h ARG 50 CO 0.00 0.27 0.00 -0.85 -1.07 0.00 0.00 179.97 178.32 1s4i n GLU 51 N -3.30 3.58 -0.93 0.04 0.00 -1.26 -4.61 120.64 114.16 1s4i n GLU 51 Ca 0.01 -2.51 0.00 0.00 0.00 0.00 0.00 57.16 54.66 1s4i n GLU 51 Cb 0.52 -1.89 0.00 0.00 0.00 0.00 0.00 31.44 30.07 1s4i n GLU 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s4i n GLY 52 N 0.91 0.74 3.74 -1.84 0.00 -1.04 -5.07 105.19 102.64 1s4i n GLY 52 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1s4i n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s4i s LYS 53 N -0.21 4.35 -0.08 1.61 2.20 -1.26 -4.70 119.74 121.65 1s4i s LYS 53 Ca 0.00 2.15 -0.30 0.00 -0.36 0.00 0.00 55.97 57.46 1s4i s LYS 53 Cb 0.00 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 1s4i s LYS 53 CO 0.00 -0.31 1.36 0.00 -0.36 0.00 0.00 175.35 176.04 1s4i s ALA 54 N 0.02 3.60 -0.10 3.13 0.00 -1.26 -1.81 121.76 125.34 1s4i s ALA 54 Ca 0.57 0.70 0.13 0.00 0.00 0.00 0.00 51.96 53.36 1s4i s ALA 54 Cb -0.39 -3.61 0.25 0.00 0.00 0.00 0.00 23.12 19.37 1s4i s ALA 54 CO 0.40 -1.05 1.12 1.33 0.00 0.00 0.00 175.76 177.57 1s4i n VAL 55 N 5.03 1.26 0.00 0.00 0.24 0.42 -4.96 118.33 120.32 1s4i n VAL 55 Ca 0.14 -1.70 0.00 0.00 -2.04 0.00 0.00 64.34 60.74 1s4i n VAL 55 Cb 0.44 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1s4i n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s4i n GLY 56 N -0.83 0.32 3.36 7.63 0.00 -1.24 -0.94 105.19 113.50 1s4i n GLY 56 Ca 0.11 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 1s4i n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s4i s PHE 57 N -1.12 0.08 -0.00 1.61 -0.71 -0.47 0.03 117.98 117.39 1s4i s PHE 57 Ca 0.00 -0.44 0.06 0.00 -1.04 0.00 0.00 56.93 55.51 1s4i s PHE 57 Cb 0.00 0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 1s4i s PHE 57 CO 0.00 -0.74 -0.18 0.42 -1.34 0.00 0.00 175.22 173.38 1s4i s ILE 58 N -3.89 1.42 0.23 -4.49 1.01 -0.28 -1.06 121.20 114.14 1s4i s ILE 58 Ca 0.10 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1s4i s ILE 58 Cb 0.02 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 1s4i s ILE 58 CO -0.05 0.35 -0.07 -1.83 0.00 0.00 0.00 174.94 173.34 1s4i s GLU 59 N -0.56 1.36 0.07 2.79 -1.05 -0.34 -0.52 118.70 120.44 1s4i s GLU 59 Ca 0.07 -1.65 0.02 0.00 -0.15 0.00 0.00 54.97 53.25 1s4i s GLU 59 Cb -0.07 -0.90 -0.03 0.00 -0.44 0.00 0.00 34.13 32.69 1s4i s GLU 59 CO -0.00 0.04 -0.07 0.96 0.95 0.00 0.00 175.26 177.14 1s4i s ILE 60 N -3.18 0.58 0.12 1.83 -4.36 -1.26 -0.66 121.20 114.27 1s4i s ILE 60 Ca 0.25 -1.51 -0.05 0.00 -0.26 0.00 0.00 60.65 59.09 1s4i s ILE 60 Cb 0.03 -1.14 -0.02 0.00 1.25 0.00 0.00 42.46 42.58 1s4i s ILE 60 CO 0.08 -0.64 0.14 -1.59 0.24 0.00 0.00 174.94 173.17 1s4i s LYS 61 N -2.73 0.92 0.17 0.37 -2.85 -0.77 -0.71 119.74 114.13 1s4i s LYS 61 Ca 0.01 -1.20 -0.30 0.00 -1.00 0.00 0.00 55.97 53.47 1s4i s LYS 61 Cb -0.02 0.30 -0.08 0.00 -2.06 0.00 0.00 37.83 35.97 1s4i s LYS 61 CO -0.03 -0.28 1.25 -1.21 0.10 0.00 0.00 175.35 175.18 1s4i s GLU 62 N -3.96 4.43 0.45 1.78 2.02 -1.26 -0.71 118.70 121.46 1s4i s GLU 62 Ca 0.14 1.94 -0.14 0.00 0.02 0.00 0.00 54.97 56.94 1s4i s GLU 62 Cb 0.06 -3.24 -0.07 0.00 0.10 0.00 0.00 34.13 30.98 1s4i s GLU 62 CO -0.04 -0.20 0.87 0.45 0.02 0.00 0.00 175.26 176.36 1s4i s SER 63 N 0.42 6.58 -0.30 -0.19 0.15 -0.62 -4.77 113.70 114.96 1s4i s SER 63 Ca 0.56 1.35 -0.06 0.00 0.70 0.00 0.00 55.95 58.50 1s4i s SER 63 Cb -0.34 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.58 1s4i s SER 63 CO 0.36 -0.48 0.07 1.51 1.20 0.00 0.00 173.24 175.89 1s4i s ASP 64 N -3.08 5.07 0.90 5.45 -4.77 -1.26 -4.66 116.67 114.33 1s4i s ASP 64 Ca 0.55 -0.87 -0.08 0.00 -3.30 0.00 0.00 52.55 48.85 1s4i s ASP 64 Cb -0.10 -1.85 0.13 0.00 -1.09 0.00 0.00 42.92 40.02 1s4i s ASP 64 CO 0.31 -0.22 0.82 0.47 0.70 0.00 0.00 175.17 177.24 1s4i n ASP 65 N 4.82 0.28 -4.67 2.11 8.00 -1.26 -5.13 116.55 120.70 1s4i n ASP 65 Ca -0.14 -1.43 -0.25 0.00 0.71 0.00 0.00 54.79 53.68 1s4i n ASP 65 Cb 0.47 -0.60 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 1s4i n ASP 65 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1s4i s GLU 66 N -4.71 2.15 7.22 -1.24 2.12 -1.26 -5.09 118.70 117.89 1s4i s GLU 66 Ca 0.48 -1.76 0.00 0.00 0.36 0.00 0.00 54.97 54.05 1s4i s GLU 66 Cb -0.02 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.41 1s4i s GLU 66 CO 0.33 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 1s4i n GLY 67 N -1.05 3.43 3.24 -1.50 0.00 -1.16 -4.28 105.19 103.88 1s4i n GLY 67 Ca -0.03 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 1s4i n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4i s LEU 68 N 0.00 2.37 -0.14 0.99 1.43 -0.82 -1.59 118.68 120.93 1s4i s LEU 68 Ca 0.00 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.27 1s4i s LEU 68 Cb 0.00 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1s4i s LEU 68 CO 0.00 -0.10 0.10 -1.81 0.23 0.00 0.00 176.35 174.77 1s4i s ASP 69 N -2.28 6.06 -0.12 2.29 1.01 0.11 -0.32 116.67 123.41 1s4i s ASP 69 Ca 0.07 0.32 0.03 0.00 0.71 0.00 0.00 52.55 53.68 1s4i s ASP 69 Cb -0.06 -1.96 0.01 0.00 1.01 0.00 0.00 42.92 41.91 1s4i s ASP 69 CO 0.03 0.33 -0.22 -0.63 0.21 0.00 0.00 175.17 174.90 1s4i s ILE 70 N -0.57 1.94 -0.35 0.77 1.01 0.12 -1.84 121.20 122.29 1s4i s ILE 70 Ca 0.12 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 1s4i s ILE 70 Cb -0.12 -1.71 0.05 0.00 0.01 0.00 0.00 42.46 40.70 1s4i s ILE 70 CO 0.02 0.53 0.11 -2.28 0.00 0.00 0.00 174.94 173.32 1s4i s HIS 71 N 0.63 3.30 -0.21 3.97 5.65 0.17 -0.75 115.29 128.04 1s4i s HIS 71 Ca -0.12 -1.62 -0.07 0.00 0.25 0.00 0.00 55.06 53.49 1s4i s HIS 71 Cb -0.17 -2.40 -0.04 0.00 -1.18 0.00 0.00 32.58 28.80 1s4i s HIS 71 CO 0.03 -0.78 0.06 -1.50 -0.65 0.00 0.00 174.74 171.90 1s4i s ILE 72 N 1.35 4.53 -0.31 0.89 2.07 -0.66 -1.20 121.20 127.87 1s4i s ILE 72 Ca -0.01 -0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.10 1s4i s ILE 72 Cb -0.20 -3.07 0.11 0.00 0.13 0.00 0.00 42.46 39.43 1s4i s ILE 72 CO 0.01 0.41 0.13 -0.55 -1.91 0.00 0.00 174.94 173.04 1s4i s SER 73 N 0.85 3.70 0.17 4.50 0.15 -0.22 -1.08 113.70 121.76 1s4i s SER 73 Ca 0.03 -1.60 0.08 0.00 0.70 0.00 0.00 55.95 55.17 1s4i s SER 73 Cb -0.14 -0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 63.52 1s4i s SER 73 CO 0.02 -0.41 -0.18 0.00 1.20 0.00 0.00 173.24 173.88 1s4i s ALA 74 N 1.70 2.00 0.33 5.45 0.00 0.77 -1.37 121.76 130.64 1s4i s ALA 74 Ca 0.11 -1.50 0.06 0.00 0.00 0.00 0.00 51.96 50.62 1s4i s ALA 74 Cb -0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1s4i s ALA 74 CO -0.26 0.22 0.32 0.27 0.00 0.00 0.00 175.76 176.31 1s4i n ASN 75 N 0.23 -0.85 -1.72 0.00 2.04 -0.12 -1.72 115.26 113.14 1s4i n ASN 75 Ca -0.13 -3.10 -0.14 0.00 -0.44 0.00 0.00 54.58 50.77 1s4i n ASN 75 Cb 0.57 1.85 -0.00 0.00 -2.53 0.00 0.00 39.78 39.67 1s4i n ASN 75 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1s4i n SER 76 N -1.69 -4.41 -4.91 0.53 7.64 -1.11 -4.88 113.62 104.80 1s4i n SER 76 Ca 0.06 -0.05 -0.21 0.00 1.01 0.00 0.00 58.87 59.68 1s4i n SER 76 Cb 0.59 -3.52 -0.01 0.00 -1.01 0.00 0.00 64.21 60.26 1s4i n SER 76 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1s4i s LEU 77 N -4.20 3.28 -0.35 -3.43 1.43 -0.58 -5.07 118.68 109.76 1s4i s LEU 77 Ca 0.04 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 52.04 1s4i s LEU 77 Cb -0.02 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1s4i s LEU 77 CO 0.05 -0.80 1.31 -0.60 0.23 0.00 0.00 176.35 176.54 1s4i s ARG 78 N -4.23 3.81 -0.05 1.70 3.52 -1.26 -4.43 118.95 118.01 1s4i s ARG 78 Ca 0.48 1.10 -0.37 0.00 -0.13 0.00 0.00 55.73 56.81 1s4i s ARG 78 Cb -0.04 -3.92 -0.15 0.00 -1.56 0.00 0.00 34.95 29.28 1s4i s ARG 78 CO 0.28 -1.25 1.58 -2.30 -0.81 0.00 0.00 175.30 172.80 1s4i n PRO 79 N 7.54 1.40 0.00 5.12 -0.02 -1.26 -1.35 135.00 146.44 1s4i n PRO 79 Ca 0.15 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1s4i n PRO 79 Cb 0.47 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1s4i n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s4i n GLY 80 N 3.45 3.22 3.77 -1.23 0.00 -0.56 -4.97 105.19 108.87 1s4i n GLY 80 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1s4i n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4i s ALA 81 N -2.16 2.99 -0.04 4.61 0.00 -0.45 -4.61 121.76 122.10 1s4i s ALA 81 Ca 0.00 1.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 1s4i s ALA 81 Cb 0.00 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1s4i s ALA 81 CO 0.00 -0.82 0.49 -1.12 0.00 0.00 0.00 175.76 174.31 1s4i s SER 82 N -1.17 6.82 -0.06 0.00 0.01 -1.26 -1.48 113.70 116.55 1s4i s SER 82 Ca 0.64 0.97 0.02 0.00 1.31 0.00 0.00 55.95 58.89 1s4i s SER 82 Cb -0.33 -2.30 0.01 0.00 0.21 0.00 0.00 66.02 63.62 1s4i s SER 82 CO 0.40 0.14 -0.11 -0.76 0.41 0.00 0.00 173.24 173.32 1s4i s LEU 83 N -0.21 1.60 0.37 2.44 1.43 0.23 -1.82 118.68 122.72 1s4i s LEU 83 Ca 0.27 -0.27 -0.27 0.00 -1.03 0.00 0.00 54.13 52.83 1s4i s LEU 83 Cb -0.17 -0.77 -0.11 0.00 0.03 0.00 0.00 46.19 45.17 1s4i s LEU 83 CO 0.13 0.02 1.21 0.61 0.23 0.00 0.00 176.35 178.55 1s4i n GLY 84 N 3.86 0.36 2.97 -3.19 0.00 -0.30 -0.35 105.19 108.54 1s4i n GLY 84 Ca -0.23 0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1s4i n GLY 84 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s4i s PHE 85 N -1.15 -0.38 0.09 1.61 5.36 -1.26 0.89 117.98 123.14 1s4i s PHE 85 Ca 0.59 0.89 -0.04 0.00 -0.96 0.00 0.00 56.93 57.41 1s4i s PHE 85 Cb -0.56 -0.08 -0.03 0.00 -0.34 0.00 0.00 43.02 42.01 1s4i s PHE 85 CO 0.60 -0.35 0.08 -1.01 -1.46 0.00 0.00 175.22 173.08 1s4i s HIS 86 N 2.40 0.51 -0.22 10.12 3.76 -1.01 -3.12 115.29 127.72 1s4i s HIS 86 Ca 0.02 -0.97 -0.10 0.00 -0.15 0.00 0.00 55.06 53.86 1s4i s HIS 86 Cb -0.12 -0.30 -0.05 0.00 1.11 0.00 0.00 32.58 33.22 1s4i s HIS 86 CO -0.08 -0.49 0.14 0.42 -0.85 0.00 0.00 174.74 173.88 1s4i s ILE 87 N -3.94 5.33 0.33 0.60 1.01 0.14 -1.86 121.20 122.80 1s4i s ILE 87 Ca 0.12 0.17 0.07 0.00 0.00 0.00 0.00 60.65 61.01 1s4i s ILE 87 Cb 0.07 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 1s4i s ILE 87 CO -0.06 0.39 0.35 -0.31 0.00 0.00 0.00 174.94 175.31 1s4i s TYR 88 N 0.77 2.99 -1.39 3.97 2.02 0.18 -0.99 117.35 124.90 1s4i s TYR 88 Ca 0.07 -0.26 0.29 0.00 -0.37 0.00 0.00 57.07 56.80 1s4i s TYR 88 Cb -0.13 -1.85 1.21 0.00 -0.40 0.00 0.00 41.96 40.80 1s4i s TYR 88 CO 0.02 0.13 1.87 -0.85 -1.57 0.00 0.00 175.55 175.15 1s4i n GLU 89 N -1.46 0.41 -4.88 -0.62 0.28 0.17 -1.67 120.64 112.86 1s4i n GLU 89 Ca -0.02 -0.10 -0.28 0.00 -0.16 0.00 0.00 57.16 56.60 1s4i n GLU 89 Cb 0.59 -1.50 -0.17 0.00 1.43 0.00 0.00 31.44 31.80 1s4i n GLU 89 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1s4i s LYS 90 N -2.66 2.27 -0.90 3.44 1.02 -1.25 -4.52 119.74 117.13 1s4i s LYS 90 Ca 0.24 -0.63 -0.06 0.00 0.02 0.00 0.00 55.97 55.53 1s4i s LYS 90 Cb 0.20 -1.80 -0.07 0.00 -0.52 0.00 0.00 37.83 35.64 1s4i s LYS 90 CO 0.51 0.12 2.25 0.41 -0.92 0.00 0.00 175.35 177.72 1s4i n GLY 91 N 3.60 3.16 2.82 -3.33 0.00 0.14 -3.46 105.19 108.12 1s4i n GLY 91 Ca -0.21 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 1s4i n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s4i s SER 92 N 3.14 0.31 -0.51 1.61 0.15 -1.26 -4.72 113.70 112.43 1s4i s SER 92 Ca 0.43 0.19 0.04 0.00 0.70 0.00 0.00 55.95 57.31 1s4i s SER 92 Cb 0.12 0.07 0.13 0.00 -1.71 0.00 0.00 66.02 64.64 1s4i s SER 92 CO -0.03 -0.18 0.26 0.00 1.20 0.00 0.00 173.24 174.49 1s4i s VAL 94 N -0.19 4.12 1.02 0.00 1.01 0.73 -4.93 120.40 122.17 1s4i s VAL 94 Ca 0.17 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 1s4i s VAL 94 Cb -0.25 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1s4i s VAL 94 CO -0.00 -0.13 -0.37 -2.11 0.00 0.00 0.00 175.10 172.49 1s4i n ARG 95 N 4.89 -0.54 -0.32 2.72 1.85 -1.26 -2.29 116.66 121.71 1s4i n ARG 95 Ca -0.13 -0.14 0.14 0.00 -1.00 0.00 0.00 57.85 56.72 1s4i n ARG 95 Cb 0.46 -1.45 0.36 0.00 -1.05 0.00 0.00 32.46 30.78 1s4i n ARG 95 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1s4i h PRO 96 N -1.47 0.69 0.00 2.89 0.13 -1.95 -3.44 132.00 128.84 1s4i h PRO 96 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1s4i h PRO 96 Cb 1.33 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1s4i h PRO 96 CO 0.30 0.45 0.00 -0.25 -0.23 0.00 0.00 178.00 178.28 1s4i n ASP 97 N -4.66 0.32 -2.41 1.44 10.43 -1.25 -4.69 116.55 115.74 1s4i n ASP 97 Ca 0.21 -1.14 -0.02 0.00 2.57 0.00 0.00 54.79 56.41 1s4i n ASP 97 Cb 0.56 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 43.52 1s4i n ASP 97 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1s4i n PHE 98 N -0.07 -1.77 0.14 1.24 3.72 -0.97 -4.49 117.46 115.27 1s4i n PHE 98 Ca 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1s4i n PHE 98 Cb 0.41 -0.94 0.18 0.00 -0.94 0.00 0.00 39.48 38.19 1s4i n PHE 98 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1s4i h GLU 99 N -0.04 0.00 -3.78 -1.08 4.39 -1.92 -3.09 114.58 109.06 1s4i h GLU 99 Ca -0.03 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 58.96 1s4i h GLU 99 Cb 0.92 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.52 1s4i h GLU 99 CO 0.04 0.58 3.09 -1.13 -1.16 0.00 0.00 179.01 180.43 1s4i n SER 100 N -3.67 4.74 -4.92 1.42 3.41 -1.26 0.14 113.62 113.48 1s4i n SER 100 Ca -0.01 -2.84 -0.20 0.00 -0.26 0.00 0.00 58.87 55.56 1s4i n SER 100 Cb 0.62 -1.62 -0.02 0.00 -0.26 0.00 0.00 64.21 62.93 1s4i n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s4i s ALA 101 N 2.63 3.99 0.00 7.33 0.00 0.28 0.26 121.76 136.25 1s4i s ALA 101 Ca 0.49 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1s4i s ALA 101 Cb 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1s4i s ALA 101 CO -0.07 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1s4i n GLY 102 N -1.46 2.66 1.72 0.00 0.00 0.12 -4.61 105.19 103.61 1s4i n GLY 102 Ca -0.03 -2.12 -0.02 0.00 0.00 0.00 0.00 46.02 43.85 1s4i n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4i n GLY 103 N -1.03 1.19 3.74 -0.02 0.00 -1.26 -4.82 105.19 102.99 1s4i n GLY 103 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1s4i n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s4i s PRO 104 N -2.03 4.16 -0.28 1.61 0.05 -1.26 0.44 135.00 137.68 1s4i s PRO 104 Ca 0.09 2.52 -0.29 0.00 0.05 0.00 0.00 61.00 63.37 1s4i s PRO 104 Cb -0.02 -3.07 -0.02 0.00 0.05 0.00 0.00 34.50 31.45 1s4i s PRO 104 CO 0.04 -0.63 1.60 0.12 0.05 0.00 0.00 177.00 178.17 1s4i s PHE 105 N 0.50 2.13 -0.48 0.56 2.19 -0.17 -4.42 117.98 118.30 1s4i s PHE 105 Ca 0.67 0.61 0.06 0.00 0.33 0.00 0.00 56.93 58.61 1s4i s PHE 105 Cb -0.47 -4.06 0.22 0.00 -1.31 0.00 0.00 43.02 37.40 1s4i s PHE 105 CO 0.40 -2.68 0.76 -1.71 1.83 0.00 0.00 175.22 173.82 1s4i n ASN 106 N 8.87 -2.50 -0.01 6.13 5.15 -1.26 -0.92 115.26 130.72 1s4i n ASN 106 Ca 0.19 -3.05 0.14 0.00 -0.60 0.00 0.00 54.58 51.26 1s4i n ASN 106 Cb 0.46 1.32 0.61 0.00 -0.53 0.00 0.00 39.78 41.64 1s4i n ASN 106 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1s4i n PRO 107 N 2.08 0.16 -0.62 1.20 -0.04 -1.26 -3.47 135.00 133.05 1s4i n PRO 107 Ca 0.15 -0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 1s4i n PRO 107 Cb 0.59 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.91 1s4i n PRO 107 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1s4i n LEU 108 N -1.40 4.81 -3.42 1.53 4.32 -1.26 -5.01 117.00 116.57 1s4i n LEU 108 Ca 0.09 -2.42 -0.17 0.00 -0.02 0.00 0.00 56.01 53.49 1s4i n LEU 108 Cb 0.31 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 1s4i n LEU 108 CO 0.27 0.83 -0.12 -3.20 -1.22 0.00 0.00 177.39 173.95 1s4i n ASN 109 N 1.21 -2.38 -4.91 -1.43 5.15 -1.23 -5.01 115.26 106.67 1s4i n ASN 109 Ca 0.26 -0.57 -0.24 0.00 -0.60 0.00 0.00 54.58 53.44 1s4i n ASN 109 Cb 0.89 -0.83 -0.00 0.00 -0.53 0.00 0.00 39.78 39.31 1s4i n ASN 109 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1s4i s LYS 110 N -4.45 2.34 0.75 1.20 -0.14 -1.26 -5.12 119.74 113.06 1s4i s LYS 110 Ca 0.08 -1.82 -0.11 0.00 -1.36 0.00 0.00 55.97 52.76 1s4i s LYS 110 Cb -0.05 -2.26 0.05 0.00 -1.68 0.00 0.00 37.83 33.89 1s4i s LYS 110 CO 0.48 -0.52 1.12 -1.21 -0.76 0.00 0.00 175.35 174.46 1s4i s GLU 111 N -4.29 2.38 0.16 1.68 2.02 -0.77 -4.76 118.70 115.12 1s4i s GLU 111 Ca 0.42 0.22 -0.30 0.00 0.02 0.00 0.00 54.97 55.33 1s4i s GLU 111 Cb -0.03 -2.01 -0.08 0.00 0.10 0.00 0.00 34.13 32.11 1s4i s GLU 111 CO 0.26 -1.31 1.26 -1.58 0.02 0.00 0.00 175.26 173.91 1s4i s HIS 112 N -3.44 3.35 0.00 1.61 5.65 -1.26 -2.33 115.29 118.87 1s4i s HIS 112 Ca 0.60 1.28 0.00 0.00 0.25 0.00 0.00 55.06 57.19 1s4i s HIS 112 Cb -0.11 -3.51 0.00 0.00 -1.18 0.00 0.00 32.58 27.78 1s4i s HIS 112 CO 0.50 -1.57 0.00 0.41 -0.65 0.00 0.00 174.74 173.43 1s4i n GLY 113 N 2.58 3.45 0.25 1.59 0.00 -1.26 -4.51 105.19 107.28 1s4i n GLY 113 Ca 0.07 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.69 1s4i n GLY 113 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1s4i h PHE 114 N 0.00 0.20 0.00 1.61 0.05 -1.89 -2.81 116.94 114.09 1s4i h PHE 114 Ca 0.00 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.78 1s4i h PHE 114 Cb 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 37.89 1s4i h PHE 114 CO 0.00 0.28 -0.17 0.09 -0.18 0.00 0.00 178.31 178.33 1s4i n ASN 115 N -4.34 0.38 -4.57 2.17 3.02 -0.47 -4.84 115.26 106.62 1s4i n ASN 115 Ca -0.01 0.34 -0.43 0.00 -0.03 0.00 0.00 54.58 54.45 1s4i n ASN 115 Cb 0.22 -0.36 -0.05 0.00 -0.61 0.00 0.00 39.78 38.98 1s4i n ASN 115 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1s4i s ASN 116 N -3.54 6.52 0.52 6.41 3.84 -1.06 -4.95 114.94 122.67 1s4i s ASN 116 Ca 0.12 0.19 0.40 0.00 0.21 0.00 0.00 52.86 53.78 1s4i s ASN 116 Cb 0.16 -2.42 1.59 0.00 -0.55 0.00 0.00 41.25 40.03 1s4i s ASN 116 CO 0.60 -0.89 1.65 -0.65 -2.79 0.00 0.00 177.10 175.02 1s4i h PRO 117 N 8.79 0.04 -0.61 0.43 0.11 -1.88 2.41 132.00 141.28 1s4i h PRO 117 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1s4i h PRO 117 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1s4i h PRO 117 CO 0.97 0.02 0.00 -1.33 -0.21 0.00 0.00 178.00 177.45 1s4i n MET 118 N -4.23 2.68 -3.03 1.05 2.81 -1.26 -4.97 117.12 110.17 1s4i n MET 118 Ca 0.37 -2.50 -0.34 0.00 -1.81 0.00 0.00 57.70 53.42 1s4i n MET 118 Cb 1.63 -1.52 -0.06 0.00 -0.71 0.00 0.00 33.22 32.56 1s4i n MET 118 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1s4i s GLY 119 N -1.09 2.50 0.00 3.03 0.00 0.81 -1.85 107.32 110.72 1s4i s GLY 119 Ca 0.43 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1s4i s GLY 119 CO 0.30 0.51 0.00 1.57 0.00 0.00 0.00 173.10 175.48 1s4i n HIS 120 N 0.07 0.00 -2.33 1.90 -0.00 -0.99 -4.80 115.22 109.08 1s4i n HIS 120 Ca 0.02 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.78 1s4i n HIS 120 Cb 0.52 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.36 1s4i n HIS 120 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1s4i s HIS 121 N 0.00 3.20 0.37 1.57 3.76 -1.15 -4.60 115.29 118.44 1s4i s HIS 121 Ca 0.00 1.09 0.15 0.00 -0.15 0.00 0.00 55.06 56.15 1s4i s HIS 121 Cb 0.00 -3.53 1.00 0.00 1.11 0.00 0.00 32.58 31.16 1s4i s HIS 121 CO 0.00 -1.80 1.77 0.00 -0.85 0.00 0.00 174.74 173.86 1s4i h ALA 122 N 7.20 2.06 -0.03 -1.40 0.00 -1.85 -1.18 119.26 124.06 1s4i h ALA 122 Ca -0.39 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1s4i h ALA 122 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1s4i h ALA 122 CO 0.86 -0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1s4i n GLY 123 N -1.42 -0.57 3.68 0.00 0.00 -0.09 -4.64 105.19 102.14 1s4i n GLY 123 Ca 0.25 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1s4i n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s4i s ASP 124 N -1.81 6.97 0.25 1.61 -0.00 -0.45 -0.69 116.67 122.56 1s4i s ASP 124 Ca 0.37 1.86 0.08 0.00 -0.00 0.00 0.00 52.55 54.86 1s4i s ASP 124 Cb 0.18 -2.55 -0.05 0.00 -0.00 0.00 0.00 42.92 40.50 1s4i s ASP 124 CO 0.30 -0.66 -0.12 -0.76 -0.00 0.00 0.00 175.17 173.93 1s4i s LEU 125 N 2.61 2.54 0.73 1.23 1.43 -1.18 -4.99 118.68 121.05 1s4i s LEU 125 Ca 0.58 -1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 1s4i s LEU 125 Cb -0.26 -0.73 0.04 0.00 0.03 0.00 0.00 46.19 45.27 1s4i s LEU 125 CO 0.21 -0.21 1.18 -2.84 0.23 0.00 0.00 176.35 174.92 1s4i s PRO 126 N -3.66 2.20 0.56 1.29 0.02 -1.26 -4.57 135.00 129.59 1s4i s PRO 126 Ca 0.27 1.64 -0.19 0.00 0.02 0.00 0.00 61.00 62.73 1s4i s PRO 126 Cb 0.00 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 1s4i s PRO 126 CO 0.10 -1.76 0.77 0.09 -0.33 0.00 0.00 177.00 175.87 1s4i n ASN 127 N -2.80 -0.00 -4.85 2.53 5.03 -1.26 -4.45 115.26 109.46 1s4i n ASN 127 Ca 0.12 0.81 -0.37 0.00 0.87 0.00 0.00 54.58 56.02 1s4i n ASN 127 Cb 0.51 -1.28 -0.06 0.00 -1.02 0.00 0.00 39.78 37.93 1s4i n ASN 127 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1s4i s LEU 128 N -0.51 4.42 -0.38 3.41 1.43 0.53 -4.82 118.68 122.75 1s4i s LEU 128 Ca 0.71 0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 54.70 1s4i s LEU 128 Cb -0.45 -2.82 0.09 0.00 0.03 0.00 0.00 46.19 43.03 1s4i s LEU 128 CO 0.52 0.24 0.16 -1.61 0.23 0.00 0.00 176.35 175.89 1s4i s GLU 129 N -1.47 2.25 0.16 1.70 0.41 -1.26 -0.60 118.70 119.88 1s4i s GLU 129 Ca 0.29 -1.59 -0.30 0.00 -0.41 0.00 0.00 54.97 52.95 1s4i s GLU 129 Cb -0.16 -3.52 -0.08 0.00 -1.78 0.00 0.00 34.13 28.59 1s4i s GLU 129 CO 0.16 -0.93 1.24 0.08 -0.49 0.00 0.00 175.26 175.32 1s4i s VAL 130 N 1.23 3.56 0.97 2.63 1.01 -0.55 -4.76 120.40 124.49 1s4i s VAL 130 Ca 0.04 1.25 -0.15 0.00 0.00 0.00 0.00 61.98 63.11 1s4i s VAL 130 Cb -0.22 -3.80 0.18 0.00 0.00 0.00 0.00 36.38 32.55 1s4i s VAL 130 CO -0.02 0.17 1.23 -0.83 0.00 0.00 0.00 175.10 175.65 1s4i s GLY 131 N 0.43 1.68 0.24 4.51 0.00 -0.21 -1.50 107.32 112.47 1s4i s GLY 131 Ca 0.56 -0.94 -0.07 0.00 0.00 0.00 0.00 44.72 44.27 1s4i s GLY 131 CO 0.35 -0.24 1.89 0.00 0.00 0.00 0.00 173.10 175.11 1s4i h ALA 132 N -1.68 1.20 0.00 3.20 0.00 -1.93 -1.06 119.26 118.99 1s4i h ALA 132 Ca -0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1s4i h ALA 132 Cb 1.28 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1s4i h ALA 132 CO 0.47 0.65 0.00 -3.47 0.00 0.00 0.00 179.25 176.89 1s4i n ASP 133 N -4.37 0.00 0.00 0.00 4.64 -1.26 -4.74 116.55 110.82 1s4i n ASP 133 Ca 0.11 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.52 1s4i n ASP 133 Cb 0.05 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.13 1s4i n ASP 133 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1s4i n GLY 134 N -0.65 0.69 3.49 0.27 0.00 -0.40 -4.76 105.19 103.82 1s4i n GLY 134 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1s4i n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4i s LYS 135 N -0.14 1.76 -0.06 1.61 1.02 -1.26 -1.53 119.74 121.14 1s4i s LYS 135 Ca 0.00 -1.50 0.02 0.00 0.02 0.00 0.00 55.97 54.51 1s4i s LYS 135 Cb 0.00 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1s4i s LYS 135 CO 0.00 0.39 -0.10 0.54 -0.92 0.00 0.00 175.35 175.26 1s4i s VAL 136 N -1.92 0.97 -0.36 3.17 0.11 -0.70 -1.04 120.40 120.63 1s4i s VAL 136 Ca 0.25 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1s4i s VAL 136 Cb -0.07 -0.91 0.15 0.00 -1.53 0.00 0.00 36.38 34.01 1s4i s VAL 136 CO 0.13 0.32 0.27 -0.62 -3.33 0.00 0.00 175.10 171.88 1s4i s ASP 137 N 0.75 2.27 0.19 3.54 -1.08 -1.25 -0.16 116.67 120.93 1s4i s ASP 137 Ca -0.13 -2.12 -0.01 0.00 -0.52 0.00 0.00 52.55 49.77 1s4i s ASP 137 Cb -0.15 -0.11 -0.04 0.00 -1.46 0.00 0.00 42.92 41.15 1s4i s ASP 137 CO 0.02 -0.28 0.11 0.68 0.52 0.00 0.00 175.17 176.23 1s4i s VAL 138 N 1.06 0.06 -0.15 1.11 -7.23 -0.24 -4.99 120.40 110.01 1s4i s VAL 138 Ca 0.19 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.38 1s4i s VAL 138 Cb -0.18 -2.41 -0.00 0.00 0.56 0.00 0.00 36.38 34.34 1s4i s VAL 138 CO -0.02 -0.10 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.90 1s4i s ILE 139 N -4.11 2.79 0.15 -0.62 1.09 -1.26 -1.65 121.20 117.60 1s4i s ILE 139 Ca 0.36 -0.73 0.10 0.00 -1.10 0.00 0.00 60.65 59.28 1s4i s ILE 139 Cb 0.07 -2.18 -0.04 0.00 -1.06 0.00 0.00 42.46 39.25 1s4i s ILE 139 CO 0.10 0.51 -0.23 0.00 -0.10 0.00 0.00 174.94 175.22 1s4i s MET 140 N 0.77 1.35 -0.09 2.79 0.23 0.07 -4.93 119.30 119.48 1s4i s MET 140 Ca -0.06 -1.37 -0.13 0.00 -1.03 0.00 0.00 55.69 53.10 1s4i s MET 140 Cb -0.15 -1.67 -0.05 0.00 -1.53 0.00 0.00 34.83 31.43 1s4i s MET 140 CO 0.01 0.37 0.32 1.21 -2.03 0.00 0.00 175.02 174.91 1s4i s ASN 141 N -2.33 6.58 -0.68 -1.18 3.04 -1.26 0.14 114.94 119.25 1s4i s ASN 141 Ca 0.15 0.69 -0.00 0.00 0.04 0.00 0.00 52.86 53.73 1s4i s ASN 141 Cb -0.09 -2.20 0.17 0.00 -1.54 0.00 0.00 41.25 37.60 1s4i s ASN 141 CO 0.07 0.22 0.50 0.00 -3.04 0.00 0.00 177.10 174.85 1s4i s ALA 142 N -0.31 3.73 0.37 1.71 0.00 0.56 -4.91 121.76 122.91 1s4i s ALA 142 Ca 0.20 -3.50 0.11 0.00 0.00 0.00 0.00 51.96 48.77 1s4i s ALA 142 Cb -0.14 -2.55 0.70 0.00 0.00 0.00 0.00 23.12 21.13 1s4i s ALA 142 CO 0.08 -2.11 1.84 -1.00 0.00 0.00 0.00 175.76 174.57 1s4i h PRO 143 N 6.45 0.11 -1.64 0.00 0.13 -1.80 -2.16 132.00 133.09 1s4i h PRO 143 Ca 0.04 -0.04 -0.73 0.00 -0.87 0.00 0.00 66.00 64.40 1s4i h PRO 143 Cb 0.88 -0.01 -0.28 0.00 0.13 0.00 0.00 31.00 31.72 1s4i h PRO 143 CO 0.74 0.41 0.97 -0.25 -0.23 0.00 0.00 178.00 179.64 1s4i n ASP 144 N -4.15 7.55 -4.25 1.44 8.00 -1.26 -2.98 116.55 120.90 1s4i n ASP 144 Ca -0.02 -3.82 -0.14 0.00 0.71 0.00 0.00 54.79 51.53 1s4i n ASP 144 Cb 0.37 -1.03 -0.10 0.00 -0.02 0.00 0.00 41.12 40.35 1s4i n ASP 144 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1s4i s THR 145 N -5.00 0.88 0.14 -3.53 -4.23 -1.20 -4.80 115.64 97.90 1s4i s THR 145 Ca 0.56 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.99 1s4i s THR 145 Cb 0.46 -2.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 1s4i s THR 145 CO -0.27 -0.60 0.23 -0.55 -0.54 0.00 0.00 174.62 172.90 1s4i s SER 146 N -3.17 0.09 -0.11 3.99 0.15 0.13 -4.19 113.70 110.58 1s4i s SER 146 Ca 0.21 -0.82 0.15 0.00 0.70 0.00 0.00 55.95 56.19 1s4i s SER 146 Cb 0.05 0.39 0.53 0.00 -1.71 0.00 0.00 66.02 65.28 1s4i s SER 146 CO 0.02 -0.82 1.44 0.18 1.20 0.00 0.00 173.24 175.26 1s4i n LEU 147 N -0.15 3.92 -4.55 3.45 4.77 -1.26 -1.19 117.00 121.98 1s4i n LEU 147 Ca -0.10 -2.58 -0.41 0.00 -0.03 0.00 0.00 56.01 52.89 1s4i n LEU 147 Cb 0.63 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1s4i n LEU 147 CO 0.24 0.72 0.23 -0.75 -1.33 0.00 0.00 177.39 176.50 1s4i s LYS 148 N -2.06 3.59 0.00 3.23 2.20 -1.26 -4.88 119.74 120.56 1s4i s LYS 148 Ca 0.39 -0.19 -0.35 0.00 -0.36 0.00 0.00 55.97 55.46 1s4i s LYS 148 Cb 0.28 -3.82 -0.13 0.00 -1.51 0.00 0.00 37.83 32.65 1s4i s LYS 148 CO 0.15 -0.66 1.70 1.17 -0.36 0.00 0.00 175.35 177.35 1s4i n LYS 149 N 5.75 1.97 0.00 4.03 0.00 -1.26 -1.61 118.16 127.05 1s4i n LYS 149 Ca -0.05 0.72 0.00 0.00 0.00 0.00 0.00 58.31 58.98 1s4i n LYS 149 Cb 0.49 -2.50 0.00 0.00 0.00 0.00 0.00 35.03 33.02 1s4i n LYS 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1s4i n GLY 150 N 3.83 3.27 3.78 3.14 0.00 -1.26 -5.07 105.19 112.88 1s4i n GLY 150 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1s4i n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s4i s SER 151 N -1.07 5.82 0.40 1.61 0.15 -0.63 -4.97 113.70 115.01 1s4i s SER 151 Ca 0.00 2.14 0.21 0.00 0.70 0.00 0.00 55.95 59.00 1s4i s SER 151 Cb 0.00 -2.58 0.72 0.00 -1.71 0.00 0.00 66.02 62.45 1s4i s SER 151 CO 0.00 -1.15 1.74 0.07 1.20 0.00 0.00 173.24 175.10 1s4i h LYS 152 N 1.25 0.00 -0.46 5.44 2.10 -1.98 -3.05 116.57 119.88 1s4i h LYS 152 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1s4i h LYS 152 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1s4i h LYS 152 CO 0.57 0.31 0.00 1.28 -2.00 0.00 0.00 179.45 179.61 1s4i n LEU 153 N -3.41 2.49 -4.68 7.07 4.77 -1.26 -4.78 117.00 117.20 1s4i n LEU 153 Ca 0.00 -1.24 -0.42 0.00 -0.03 0.00 0.00 56.01 54.32 1s4i n LEU 153 Cb 0.50 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1s4i n LEU 153 CO 0.35 0.62 1.16 0.21 -1.33 0.00 0.00 177.39 178.40 1s4i s ASN 154 N -1.01 6.83 0.00 -1.43 2.47 -1.15 -0.70 114.94 119.96 1s4i s ASN 154 Ca 0.31 2.07 0.25 0.00 0.42 0.00 0.00 52.86 55.91 1s4i s ASN 154 Cb 0.16 -2.55 0.42 0.00 -1.45 0.00 0.00 41.25 37.83 1s4i s ASN 154 CO 0.21 -0.76 1.35 2.30 -3.72 0.00 0.00 177.10 176.48 1s4i n ILE 155 N 4.91 0.00 -2.85 -5.21 -5.35 -0.34 -4.33 119.36 106.20 1s4i n ILE 155 Ca 0.14 -0.15 -0.33 0.00 -0.27 0.00 0.00 62.75 62.13 1s4i n ILE 155 Cb 0.44 0.71 -0.02 0.00 -1.74 0.00 0.00 39.64 39.03 1s4i n ILE 155 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1s4i n LEU 156 N -0.57 5.71 0.00 7.28 4.77 -1.26 -3.27 117.00 129.66 1s4i n LEU 156 Ca 0.10 -5.54 0.00 0.00 -0.03 0.00 0.00 56.01 50.55 1s4i n LEU 156 Cb 0.39 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1s4i n LEU 156 CO 0.29 2.19 0.00 -0.90 -1.33 0.00 0.00 177.39 177.64 1s4i n ASP 157 N -0.05 0.00 -0.36 -1.43 5.68 -1.26 -4.84 116.55 114.30 1s4i n ASP 157 Ca 0.37 -0.77 0.02 0.00 -0.50 0.00 0.00 54.79 53.92 1s4i n ASP 157 Cb 0.34 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.48 1s4i n ASP 157 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1s4i h GLU 158 N 0.00 1.10 0.00 0.11 4.81 -1.98 -0.96 114.58 117.66 1s4i h GLU 158 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1s4i h GLU 158 Cb 0.00 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.13 1s4i h GLU 158 CO 0.00 0.73 0.00 -0.44 -0.73 0.00 0.00 179.01 178.57 1s4i h ASP 159 N 1.13 0.00 -1.14 1.04 3.32 -1.93 -3.49 116.42 115.35 1s4i h ASP 159 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1s4i h ASP 159 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1s4i h ASP 159 CO -0.17 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.96 1s4i n GLY 160 N 1.07 -0.70 3.33 2.75 0.00 -0.37 0.23 105.19 111.50 1s4i n GLY 160 Ca 0.05 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 1s4i n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s4i s SER 161 N -4.00 0.06 -0.03 1.61 0.01 -0.41 -2.29 113.70 108.66 1s4i s SER 161 Ca 0.00 -0.92 0.03 0.00 1.31 0.00 0.00 55.95 56.37 1s4i s SER 161 Cb 0.00 0.43 -0.00 0.00 0.21 0.00 0.00 66.02 66.66 1s4i s SER 161 CO 0.00 -0.89 -0.12 0.00 0.41 0.00 0.00 173.24 172.65 1s4i s ALA 162 N -3.98 1.05 -0.19 1.44 0.00 -0.67 -0.13 121.76 119.28 1s4i s ALA 162 Ca 0.19 -0.46 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 1s4i s ALA 162 Cb 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1s4i s ALA 162 CO 0.01 0.20 0.39 -0.06 0.00 0.00 0.00 175.76 176.30 1s4i s PHE 163 N 0.05 3.40 -0.03 0.00 0.08 0.15 0.51 117.98 122.14 1s4i s PHE 163 Ca -0.01 0.63 0.02 0.00 0.12 0.00 0.00 56.93 57.69 1s4i s PHE 163 Cb -0.08 -2.50 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 1s4i s PHE 163 CO 0.01 0.04 -0.09 0.42 -0.10 0.00 0.00 175.22 175.50 1s4i s ILE 164 N 1.14 0.77 -0.15 0.64 1.01 -0.78 -0.93 121.20 122.91 1s4i s ILE 164 Ca 0.19 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 1s4i s ILE 164 Cb -0.15 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1s4i s ILE 164 CO 0.08 0.24 0.06 -0.63 0.00 0.00 0.00 174.94 174.69 1s4i s ILE 165 N 0.22 4.83 0.53 2.92 1.01 -0.21 -2.41 121.20 128.10 1s4i s ILE 165 Ca -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.60 1s4i s ILE 165 Cb -0.09 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.28 1s4i s ILE 165 CO 0.01 0.52 0.75 -1.00 0.00 0.00 0.00 174.94 175.22 1s4i s HIS 166 N -0.18 2.88 -0.22 3.97 3.76 0.26 -0.17 115.29 125.58 1s4i s HIS 166 Ca 0.08 -0.02 0.18 0.00 -0.15 0.00 0.00 55.06 55.15 1s4i s HIS 166 Cb -0.12 -2.70 0.08 0.00 1.11 0.00 0.00 32.58 30.95 1s4i s HIS 166 CO 0.01 -0.81 1.32 1.49 -0.85 0.00 0.00 174.74 175.90 1s4i h GLU 167 N 0.13 0.00 -4.91 1.40 4.81 -1.18 -3.37 114.58 111.46 1s4i h GLU 167 Ca -0.42 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.43 1s4i h GLU 167 Cb 1.29 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.53 1s4i h GLU 167 CO 0.52 0.29 -0.60 -0.65 -0.73 0.00 0.00 179.01 177.84 1s4i s GLN 168 N -3.06 1.48 0.40 1.92 -0.21 -0.51 -4.93 119.66 114.75 1s4i s GLN 168 Ca 0.03 -1.81 -0.27 0.00 0.02 0.00 0.00 55.36 53.33 1s4i s GLN 168 Cb 0.07 -0.27 -0.09 0.00 1.00 0.00 0.00 33.01 33.72 1s4i s GLN 168 CO 0.75 -0.33 1.37 0.00 -2.12 0.00 0.00 175.29 174.96 1s4i s ALA 169 N -3.69 3.34 -0.04 6.09 0.00 -0.75 -1.15 121.76 125.56 1s4i s ALA 169 Ca 0.37 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.40 1s4i s ALA 169 Cb 0.07 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1s4i s ALA 169 CO 0.15 -0.95 0.98 0.34 0.00 0.00 0.00 175.76 176.28 1s4i s ASP 170 N -0.53 7.32 0.00 0.00 -1.08 -1.26 -4.13 116.67 116.99 1s4i s ASP 170 Ca 0.56 1.61 0.29 0.00 -0.52 0.00 0.00 52.55 54.49 1s4i s ASP 170 Cb -0.41 -2.56 1.34 0.00 -1.46 0.00 0.00 42.92 39.82 1s4i s ASP 170 CO 0.54 -0.32 1.90 -0.90 0.52 0.00 0.00 175.17 176.91 1s4i n ASP 171 N 4.27 0.97 -1.19 -0.34 5.68 0.32 -4.94 116.55 121.34 1s4i n ASP 171 Ca 0.07 -1.33 -0.15 0.00 -0.50 0.00 0.00 54.79 52.87 1s4i n ASP 171 Cb 0.50 -0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.42 1s4i n ASP 171 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1s4i n TYR 172 N -0.23 -0.04 0.00 2.11 0.53 -1.26 -4.73 117.16 113.54 1s4i n TYR 172 Ca 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.09 1s4i n TYR 172 Cb 0.27 -3.02 0.00 0.00 -1.03 0.00 0.00 39.34 35.56 1s4i n TYR 172 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1s4i n LEU 173 N -1.75 0.09 -4.73 7.72 4.77 -1.26 -1.37 117.00 120.47 1s4i n LEU 173 Ca -0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 1s4i n LEU 173 Cb 0.61 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1s4i n LEU 173 CO 0.23 -0.16 1.13 -0.89 -1.33 0.00 0.00 177.39 176.37 1s4i s THR 174 N -1.98 2.87 0.39 -5.08 2.01 -1.26 -4.71 115.64 107.87 1s4i s THR 174 Ca 0.00 0.66 -0.20 0.00 0.31 0.00 0.00 61.69 62.45 1s4i s THR 174 Cb 0.00 -3.42 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 1s4i s THR 174 CO 0.00 0.07 0.90 0.20 -0.69 0.00 0.00 174.62 175.10 1s4i s ASN 175 N 0.84 6.94 0.10 3.53 -0.87 -1.26 0.18 114.94 124.40 1s4i s ASN 175 Ca 0.64 1.61 0.26 0.00 -1.57 0.00 0.00 52.86 53.80 1s4i s ASN 175 Cb -0.41 -2.51 0.63 0.00 -0.02 0.00 0.00 41.25 38.95 1s4i s ASN 175 CO 0.35 -0.29 1.55 -0.81 -2.57 0.00 0.00 177.10 175.32 1s4i n PRO 176 N -0.44 0.18 -0.87 -0.60 -0.04 -1.26 -4.70 135.00 127.27 1s4i n PRO 176 Ca 0.06 0.09 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1s4i n PRO 176 Cb 0.53 -1.65 0.01 0.00 -0.04 0.00 0.00 33.50 32.35 1s4i n PRO 176 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1s4i n SER 177 N -1.93 0.34 -0.83 3.54 3.41 -1.09 -4.47 113.62 112.60 1s4i n SER 177 Ca 0.05 -1.98 -0.09 0.00 -0.26 0.00 0.00 58.87 56.59 1s4i n SER 177 Cb 0.40 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1s4i n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s4i n GLY 178 N 0.18 0.72 3.19 5.00 0.00 0.13 -2.38 105.19 112.03 1s4i n GLY 178 Ca 0.02 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 1s4i n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s4i n ASN 179 N 0.41 -5.39 0.21 1.61 3.02 -1.26 -0.52 115.26 113.35 1s4i n ASN 179 Ca -0.10 -0.35 0.15 0.00 -0.03 0.00 0.00 54.58 54.25 1s4i n ASN 179 Cb 0.40 -4.37 0.67 0.00 -0.61 0.00 0.00 39.78 35.87 1s4i n ASN 179 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1s4i h SER 180 N -1.38 0.00 0.00 6.41 0.02 -1.62 -3.45 113.55 113.53 1s4i h SER 180 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1s4i h SER 180 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1s4i h SER 180 CO 0.56 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 1s4i n GLY 181 N -0.31 -0.45 3.83 -3.77 0.00 -1.26 -1.42 105.19 101.80 1s4i n GLY 181 Ca 0.00 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1s4i n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4i s ALA 182 N -1.05 2.96 -0.38 4.61 0.00 -1.26 -4.71 121.76 121.94 1s4i s ALA 182 Ca 0.00 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 51.98 1s4i s ALA 182 Cb 0.00 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1s4i s ALA 182 CO 0.00 -0.35 1.01 1.03 0.00 0.00 0.00 175.76 177.46 1s4i s ARG 183 N -3.90 3.88 -0.11 0.00 0.52 -1.26 -1.54 118.95 116.55 1s4i s ARG 183 Ca 0.61 0.72 0.19 0.00 -0.52 0.00 0.00 55.73 56.73 1s4i s ARG 183 Cb -0.12 -3.80 -0.28 0.00 0.52 0.00 0.00 34.95 31.27 1s4i s ARG 183 CO 0.30 -1.02 0.25 0.44 0.02 0.00 0.00 175.30 175.29 1s4i n ILE 184 N 6.11 0.68 -3.85 1.52 -5.35 0.76 -4.76 119.36 114.47 1s4i n ILE 184 Ca 0.09 -0.65 -0.12 0.00 -0.27 0.00 0.00 62.75 61.81 1s4i n ILE 184 Cb 0.48 -0.24 -0.13 0.00 -1.74 0.00 0.00 39.64 38.01 1s4i n ILE 184 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1s4i s VAL 185 N -2.93 0.01 -0.01 7.28 1.01 -1.03 -2.78 120.40 121.94 1s4i s VAL 185 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1s4i s VAL 185 Cb 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.33 1s4i s VAL 185 CO 0.82 -0.05 -0.01 0.00 0.00 0.00 0.00 175.10 175.86 1s4i s GLY 187 N 0.40 0.63 -0.22 0.00 0.00 -0.11 -1.42 107.32 106.60 1s4i s GLY 187 Ca -0.04 -0.27 -0.13 0.00 0.00 0.00 0.00 44.72 44.29 1s4i s GLY 187 CO -0.01 0.56 0.27 0.00 0.00 0.00 0.00 173.10 173.92 1s4i s ALA 188 N 1.21 3.59 -0.38 3.20 0.00 -1.26 0.33 121.76 128.45 1s4i s ALA 188 Ca -0.06 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 1s4i s ALA 188 Cb -0.14 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.56 1s4i s ALA 188 CO -0.02 -0.20 0.21 -1.17 0.00 0.00 0.00 175.76 174.58 1s4i s LEU 189 N 1.08 4.75 0.00 0.00 2.96 0.82 -4.83 118.68 123.46 1s4i s LEU 189 Ca 0.13 -1.05 0.00 0.00 -0.22 0.00 0.00 54.13 52.99 1s4i s LEU 189 Cb -0.14 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.54 1s4i s LEU 189 CO 0.06 -0.40 0.00 -0.11 -1.32 0.00 0.00 176.35 174.58