#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4i s VAL 21 N 0.00 4.50 -0.21 3.15 1.01 -1.26 -4.70 120.40 122.89 2q4i s VAL 21 Ca 0.00 1.89 -0.02 0.00 0.00 0.00 0.00 61.98 63.84 2q4i s VAL 21 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2q4i s VAL 21 CO 0.00 0.38 -0.09 -1.10 0.00 0.00 0.00 175.10 174.30 2q4i s GLN 22 N -0.31 3.25 -0.25 2.72 -0.21 -0.74 -4.93 119.66 119.20 2q4i s GLN 22 Ca 0.42 -0.69 -0.21 0.00 0.02 0.00 0.00 55.36 54.90 2q4i s GLN 22 Cb -0.23 -2.89 -0.02 0.00 1.00 0.00 0.00 33.01 30.87 2q4i s GLN 22 CO 0.27 -0.21 0.64 -1.21 -2.12 0.00 0.00 175.29 172.67 2q4i s GLU 23 N 1.42 4.12 -0.09 2.91 2.02 -1.26 -1.95 118.70 125.87 2q4i s GLU 23 Ca 0.05 0.57 0.04 0.00 0.02 0.00 0.00 54.97 55.66 2q4i s GLU 23 Cb -0.14 -3.65 -0.00 0.00 0.10 0.00 0.00 34.13 30.44 2q4i s GLU 23 CO -0.06 -0.41 -0.24 -1.17 0.02 0.00 0.00 175.26 173.40 2q4i s LEU 24 N 2.50 2.08 0.03 1.80 2.96 -1.19 -4.96 118.68 121.90 2q4i s LEU 24 Ca 0.27 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.72 2q4i s LEU 24 Cb -0.15 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 2q4i s LEU 24 CO 0.08 0.17 -0.26 -0.44 -1.32 0.00 0.00 176.35 174.58 2q4i s SER 25 N 0.28 3.18 0.06 3.68 0.01 -1.25 -0.11 113.70 119.53 2q4i s SER 25 Ca -0.17 -0.56 -0.01 0.00 1.31 0.00 0.00 55.95 56.52 2q4i s SER 25 Cb -0.17 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 2q4i s SER 25 CO 0.08 0.27 -0.03 0.68 0.41 0.00 0.00 173.24 174.65 2q4i s VAL 26 N -0.78 0.26 -0.12 3.43 -7.23 0.50 -0.89 120.40 115.58 2q4i s VAL 26 Ca 0.12 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 2q4i s VAL 26 Cb -0.10 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2q4i s VAL 26 CO 0.02 -0.97 -0.12 -0.31 -0.31 0.00 0.00 175.10 173.40 2q4i s TYR 27 N -3.90 2.81 -0.16 2.82 2.02 -0.93 -0.39 117.35 119.62 2q4i s TYR 27 Ca 0.08 -0.50 -0.05 0.00 -0.37 0.00 0.00 57.07 56.23 2q4i s TYR 27 Cb 0.08 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 2q4i s TYR 27 CO -0.09 -0.10 0.00 -2.00 -1.57 0.00 0.00 175.55 171.79 2q4i s GLU 28 N 0.11 3.75 -0.03 -0.62 2.12 0.36 -1.13 118.70 123.26 2q4i s GLU 28 Ca -0.06 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 54.83 2q4i s GLU 28 Cb -0.15 -3.02 0.03 0.00 0.26 0.00 0.00 34.13 31.26 2q4i s GLU 28 CO 0.04 0.28 0.00 0.42 -0.54 0.00 0.00 175.26 175.47 2q4i s ILE 29 N 0.28 0.14 -0.51 -3.70 1.01 0.38 -0.96 121.20 117.85 2q4i s ILE 29 Ca -0.01 0.10 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 2q4i s ILE 29 Cb -0.13 -0.25 0.05 0.00 0.01 0.00 0.00 42.46 42.14 2q4i s ILE 29 CO 0.02 0.14 0.70 0.21 0.00 0.00 0.00 174.94 176.01 2q4i s ASN 30 N 1.03 6.26 -0.04 3.58 3.84 -0.39 -1.24 114.94 127.98 2q4i s ASN 30 Ca -0.10 -0.72 0.13 0.00 0.21 0.00 0.00 52.86 52.38 2q4i s ASN 30 Cb -0.13 -2.33 0.44 0.00 -0.55 0.00 0.00 41.25 38.67 2q4i s ASN 30 CO -0.02 -0.96 1.33 -0.62 -2.79 0.00 0.00 177.10 174.04 2q4i n GLU 31 N 6.49 2.43 -1.08 0.43 1.02 -1.26 -4.86 120.64 123.80 2q4i n GLU 31 Ca -0.04 -1.75 -0.03 0.00 -0.02 0.00 0.00 57.16 55.32 2q4i n GLU 31 Cb 0.46 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 2q4i n GLU 31 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2q4i n LEU 32 N 0.74 0.25 -0.53 -4.62 4.77 -1.26 -4.84 117.00 111.50 2q4i n LEU 32 Ca 0.16 0.07 0.05 0.00 -0.03 0.00 0.00 56.01 56.27 2q4i n LEU 32 Cb 0.51 -1.75 0.10 0.00 -2.33 0.00 0.00 43.42 39.94 2q4i n LEU 32 CO 0.13 -0.61 0.53 -0.90 -1.33 0.00 0.00 177.39 175.20 2q4i n ASP 33 N -0.47 2.41 -0.53 -1.43 5.68 -1.26 -4.51 116.55 116.44 2q4i n ASP 33 Ca -0.03 -1.73 0.06 0.00 -0.50 0.00 0.00 54.79 52.59 2q4i n ASP 33 Cb 0.33 -0.11 0.16 0.00 -1.14 0.00 0.00 41.12 40.35 2q4i n ASP 33 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2q4i n ARG 34 N 0.55 2.72 -1.59 0.11 1.74 -1.26 -4.96 116.66 113.97 2q4i n ARG 34 Ca 0.09 -2.25 -0.15 0.00 -0.77 0.00 0.00 57.85 54.77 2q4i n ARG 34 Cb 0.35 -1.42 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 2q4i n ARG 34 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2q4i n HIS 35 N -0.20 -0.13 -5.25 -1.55 8.25 -1.26 -4.85 115.22 110.22 2q4i n HIS 35 Ca 0.13 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.28 2q4i n HIS 35 Cb 0.56 -2.69 -0.16 0.00 1.12 0.00 0.00 29.99 28.81 2q4i n HIS 35 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2q4i s SER 36 N -2.75 2.97 0.64 0.41 0.15 -1.26 -3.50 113.70 110.35 2q4i s SER 36 Ca 0.00 -0.47 -0.11 0.00 0.70 0.00 0.00 55.95 56.07 2q4i s SER 36 Cb 0.00 -0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 63.76 2q4i s SER 36 CO 0.00 0.28 1.04 -2.16 1.20 0.00 0.00 173.24 173.60 2q4i s PRO 37 N -0.42 3.45 -0.15 5.44 0.04 -1.26 -4.78 135.00 137.32 2q4i s PRO 37 Ca 0.04 0.75 -0.00 0.00 0.04 0.00 0.00 61.00 61.83 2q4i s PRO 37 Cb -0.11 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 2q4i s PRO 37 CO 0.01 -0.68 -0.13 0.21 0.04 0.00 0.00 177.00 176.45 2q4i s LYS 38 N -5.18 3.29 -0.18 4.56 2.47 -1.09 -5.07 119.74 118.54 2q4i s LYS 38 Ca 0.56 -0.71 -0.06 0.00 -1.56 0.00 0.00 55.97 54.19 2q4i s LYS 38 Cb -0.11 -2.67 -0.03 0.00 -1.46 0.00 0.00 37.83 33.55 2q4i s LYS 38 CO 0.54 0.06 0.03 0.42 0.16 0.00 0.00 175.35 176.56 2q4i s ILE 39 N 0.72 4.40 -0.30 5.43 1.01 -1.26 -3.32 121.20 127.87 2q4i s ILE 39 Ca -0.06 -0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 2q4i s ILE 39 Cb -0.15 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 2q4i s ILE 39 CO 0.02 0.46 0.15 -0.76 0.00 0.00 0.00 174.94 174.80 2q4i s LEU 40 N 0.53 4.02 -0.34 2.97 1.43 0.60 -4.96 118.68 122.94 2q4i s LEU 40 Ca 0.01 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 2q4i s LEU 40 Cb -0.13 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 2q4i s LEU 40 CO 0.02 -0.16 0.54 -0.75 0.23 0.00 0.00 176.35 176.22 2q4i s LYS 41 N 1.63 3.70 0.00 1.70 2.47 -1.26 -0.35 119.74 127.63 2q4i s LYS 41 Ca 0.05 -0.04 0.00 0.00 -1.56 0.00 0.00 55.97 54.42 2q4i s LYS 41 Cb -0.17 -3.78 0.00 0.00 -1.46 0.00 0.00 37.83 32.42 2q4i s LYS 41 CO 0.06 -0.62 0.01 0.09 0.16 0.00 0.00 175.35 175.06 2q4i n ASN 42 N 5.77 0.02 -4.83 1.43 3.02 -1.25 -4.93 115.26 114.50 2q4i n ASN 42 Ca -0.04 -0.27 -0.35 0.00 -0.03 0.00 0.00 54.58 53.89 2q4i n ASN 42 Cb 0.49 0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.68 2q4i n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2q4i s ALA 43 N -0.08 3.38 -1.05 5.41 0.00 -1.26 -4.82 121.76 123.34 2q4i s ALA 43 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.87 2q4i s ALA 43 Cb 0.00 -2.80 0.06 0.00 0.00 0.00 0.00 23.12 20.37 2q4i s ALA 43 CO 0.00 0.33 1.47 -0.06 0.00 0.00 0.00 175.76 177.49 2q4i s PHE 44 N -1.67 2.60 -0.25 0.00 0.08 -1.26 -4.84 117.98 112.63 2q4i s PHE 44 Ca 0.47 -0.98 -0.29 0.00 0.12 0.00 0.00 56.93 56.25 2q4i s PHE 44 Cb -0.15 -4.68 0.18 0.00 -0.57 0.00 0.00 43.02 37.80 2q4i s PHE 44 CO 0.20 -1.89 1.26 0.45 -0.10 0.00 0.00 175.22 175.14 2q4i s SER 45 N 4.80 -0.13 0.00 1.36 0.15 -1.26 -5.08 113.70 113.54 2q4i s SER 45 Ca 0.46 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.25 2q4i s SER 45 Cb 0.00 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2q4i s SER 45 CO -0.08 -0.12 1.33 0.18 1.20 0.00 0.00 173.24 175.75 2q4i n LEU 46 N 0.59 3.65 -4.81 3.45 4.77 -1.26 -4.97 117.00 118.41 2q4i n LEU 46 Ca -0.03 -1.69 -0.35 0.00 -0.03 0.00 0.00 56.01 53.91 2q4i n LEU 46 Cb 0.59 -0.73 -0.07 0.00 -2.33 0.00 0.00 43.42 40.88 2q4i n LEU 46 CO 0.09 0.67 0.60 -0.36 -1.33 0.00 0.00 177.39 177.06 2q4i s PHE 48 N 0.29 3.51 0.08 -1.77 0.08 -1.26 -5.22 117.98 113.69 2q4i s PHE 48 Ca 0.00 1.61 -0.26 0.00 0.12 0.00 0.00 56.93 58.41 2q4i s PHE 48 Cb 0.00 -2.82 0.08 0.00 -0.57 0.00 0.00 43.02 39.71 2q4i s PHE 48 CO 0.00 0.09 0.71 0.20 -0.10 0.00 0.00 175.22 176.12 2q4i s GLY 49 N -1.90 -0.56 -0.23 4.36 0.00 -1.26 -4.33 107.32 103.40 2q4i s GLY 49 Ca 0.54 0.79 -0.41 0.00 0.00 0.00 0.00 44.72 45.65 2q4i s GLY 49 CO 0.19 0.33 1.62 -0.10 0.00 0.00 0.00 173.10 175.14 2q4i n LEU 50 N -0.16 1.97 0.00 0.66 7.94 -1.26 0.03 117.00 126.19 2q4i n LEU 50 Ca -0.14 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 2q4i n LEU 50 Cb 0.63 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.48 2q4i n LEU 50 CO 0.13 -0.67 0.00 0.61 -1.11 0.00 0.00 177.39 176.35 2q4i n GLY 51 N 3.75 1.30 3.70 -3.96 0.00 -1.26 -4.17 105.19 104.55 2q4i n GLY 51 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2q4i n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q4i s ASP 52 N -0.98 7.25 0.03 1.61 1.01 0.10 -3.83 116.67 121.87 2q4i s ASP 52 Ca 0.00 1.74 0.08 0.00 0.71 0.00 0.00 52.55 55.08 2q4i s ASP 52 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 2q4i s ASP 52 CO 0.00 -0.37 -0.23 -0.76 0.21 0.00 0.00 175.17 174.01 2q4i s LEU 53 N 1.32 2.31 -0.35 1.23 1.43 0.53 -2.16 118.68 122.98 2q4i s LEU 53 Ca 0.53 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 2q4i s LEU 53 Cb -0.23 -1.37 0.14 0.00 0.03 0.00 0.00 46.19 44.76 2q4i s LEU 53 CO 0.26 0.27 0.27 -0.69 0.23 0.00 0.00 176.35 176.69 2q4i s VAL 54 N -0.81 -0.11 0.47 -1.59 1.01 -1.05 0.22 120.40 118.54 2q4i s VAL 54 Ca 0.12 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 2q4i s VAL 54 Cb -0.10 -0.93 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 2q4i s VAL 54 CO 0.03 -0.77 1.35 -2.84 0.00 0.00 0.00 175.10 172.87 2q4i s PRO 55 N 1.43 3.61 0.19 2.72 0.02 -1.21 -2.62 135.00 139.13 2q4i s PRO 55 Ca 0.16 2.24 -0.14 0.00 0.02 0.00 0.00 61.00 63.28 2q4i s PRO 55 Cb -0.19 -2.54 0.01 0.00 0.02 0.00 0.00 34.50 31.80 2q4i s PRO 55 CO -0.08 -0.82 0.43 -0.59 -0.33 0.00 0.00 177.00 175.61 2q4i s PHE 56 N -1.28 0.11 -0.30 6.54 -0.12 0.18 -2.68 117.98 120.43 2q4i s PHE 56 Ca 0.63 -0.46 -0.14 0.00 -0.05 0.00 0.00 56.93 56.91 2q4i s PHE 56 Cb -0.40 0.21 0.15 0.00 -0.63 0.00 0.00 43.02 42.35 2q4i s PHE 56 CO 0.50 -0.84 0.91 -0.08 -0.05 0.00 0.00 175.22 175.65 2q4i s THR 57 N -3.92 -0.56 0.34 -4.49 -1.32 -1.26 -1.38 115.64 103.05 2q4i s THR 57 Ca 0.13 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.70 2q4i s THR 57 Cb 0.01 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.95 2q4i s THR 57 CO -0.01 0.00 0.04 0.20 -2.21 0.00 0.00 174.62 172.64 2q4i s ASN 58 N 2.45 4.31 0.50 8.08 0.01 -1.13 -4.65 114.94 124.51 2q4i s ASN 58 Ca -0.04 -0.93 -0.18 0.00 -0.71 0.00 0.00 52.86 50.99 2q4i s ASN 58 Cb -0.07 -0.59 -0.08 0.00 0.41 0.00 0.00 41.25 40.92 2q4i s ASN 58 CO -0.18 -0.25 1.01 -0.54 -1.51 0.00 0.00 177.10 175.63 2q4i s LYS 59 N -3.75 3.84 -0.07 -0.60 1.02 -0.37 -1.08 119.74 118.73 2q4i s LYS 59 Ca 0.35 1.16 0.01 0.00 0.02 0.00 0.00 55.97 57.51 2q4i s LYS 59 Cb -0.01 -2.11 0.02 0.00 -0.52 0.00 0.00 37.83 35.21 2q4i s LYS 59 CO 0.20 -0.37 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.03 2q4i s LEU 60 N -3.78 1.25 0.45 3.17 2.96 -0.25 -0.47 118.68 122.01 2q4i s LEU 60 Ca 0.63 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.38 2q4i s LEU 60 Cb -0.13 -0.63 -0.05 0.00 0.50 0.00 0.00 46.19 45.88 2q4i s LEU 60 CO 0.25 -0.07 0.03 -0.31 -1.32 0.00 0.00 176.35 174.93 2q4i s TYR 61 N 1.21 2.27 0.69 5.38 2.02 -0.28 -0.90 117.35 127.73 2q4i s TYR 61 Ca -0.06 -0.77 -0.11 0.00 -0.37 0.00 0.00 57.07 55.76 2q4i s TYR 61 Cb -0.14 -1.73 0.01 0.00 -0.40 0.00 0.00 41.96 39.69 2q4i s TYR 61 CO -0.02 0.33 1.06 0.95 -1.57 0.00 0.00 175.55 176.30 2q4i s THR 62 N -2.77 3.94 -0.91 -0.71 -4.23 -0.56 -2.18 115.64 108.22 2q4i s THR 62 Ca 0.25 0.67 0.18 0.00 -1.18 0.00 0.00 61.69 61.60 2q4i s THR 62 Cb 0.06 -3.36 0.16 0.00 1.34 0.00 0.00 72.50 70.71 2q4i s THR 62 CO 0.13 -0.78 1.57 0.61 -0.54 0.00 0.00 174.62 175.60 2q4i n GLY 63 N -1.78 -1.13 1.11 3.99 0.00 -0.07 -0.58 105.19 106.73 2q4i n GLY 63 Ca 0.08 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2q4i n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2q4i n ASP 64 N -1.64 3.50 -1.65 1.61 5.75 -1.26 0.11 116.55 122.98 2q4i n ASP 64 Ca 0.04 -1.97 -0.18 0.00 -0.01 0.00 0.00 54.79 52.67 2q4i n ASP 64 Cb 0.21 -0.34 -0.07 0.00 -1.03 0.00 0.00 41.12 39.89 2q4i n ASP 64 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2q4i n LEU 65 N 1.34 -1.37 -0.30 -2.12 4.77 0.25 -4.61 117.00 114.96 2q4i n LEU 65 Ca 0.19 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 2q4i n LEU 65 Cb 0.56 -2.57 0.06 0.00 -2.33 0.00 0.00 43.42 39.15 2q4i n LEU 65 CO 0.14 -0.84 0.30 0.29 -1.33 0.00 0.00 177.39 175.96 2q4i n LYS 66 N -2.30 0.78 -3.69 3.23 5.02 -1.26 -1.21 118.16 118.72 2q4i n LYS 66 Ca -0.19 -0.60 -0.11 0.00 -2.02 0.00 0.00 58.31 55.39 2q4i n LYS 66 Cb 0.60 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 34.01 2q4i n LYS 66 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2q4i s LYS 67 N -2.64 0.29 0.02 1.97 1.02 -1.26 -4.64 119.74 114.50 2q4i s LYS 67 Ca 0.17 0.77 -0.30 0.00 0.02 0.00 0.00 55.97 56.62 2q4i s LYS 67 Cb 0.18 0.02 -0.07 0.00 -0.52 0.00 0.00 37.83 37.44 2q4i s LYS 67 CO 0.64 -0.20 1.68 0.50 -0.92 0.00 0.00 175.35 177.05 2q4i s ARG 68 N 1.80 4.19 -0.16 1.68 6.06 0.56 -1.49 118.95 131.58 2q4i s ARG 68 Ca -0.06 2.30 0.04 0.00 -2.50 0.00 0.00 55.73 55.50 2q4i s ARG 68 Cb -0.10 -3.80 -0.12 0.00 0.06 0.00 0.00 34.95 30.98 2q4i s ARG 68 CO -0.11 -0.79 -0.11 1.33 -2.50 0.00 0.00 175.30 173.12 2q4i n VAL 69 N 5.09 0.98 0.00 7.11 0.24 -0.08 -0.57 118.33 131.10 2q4i n VAL 69 Ca 0.17 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2q4i n VAL 69 Cb 0.42 -1.01 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 2q4i n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2q4i n GLY 70 N 2.56 0.21 3.47 7.63 0.00 -0.40 -2.74 105.19 115.92 2q4i n GLY 70 Ca -0.29 0.46 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 2q4i n GLY 70 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2q4i s ILE 71 N 2.50 0.00 0.25 -0.61 -5.25 -1.22 -1.09 121.20 115.79 2q4i s ILE 71 Ca 0.00 0.00 -0.05 0.00 -0.99 0.00 0.00 60.65 59.61 2q4i s ILE 71 Cb 0.00 -1.00 -0.05 0.00 2.95 0.00 0.00 42.46 44.36 2q4i s ILE 71 CO 0.00 0.00 0.50 0.42 -1.79 0.00 0.00 174.94 174.07 2q4i s THR 72 N -2.96 5.06 -0.19 8.37 -4.23 -0.25 -1.50 115.64 119.95 2q4i s THR 72 Ca -0.01 0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.36 2q4i s THR 72 Cb -0.01 -3.71 0.05 0.00 1.34 0.00 0.00 72.50 70.17 2q4i s THR 72 CO -0.07 -0.23 0.49 0.00 -0.54 0.00 0.00 174.62 174.28 2q4i s ALA 73 N -1.97 -1.23 0.00 3.99 0.00 0.71 -2.84 121.76 120.42 2q4i s ALA 73 Ca 0.43 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2q4i s ALA 73 Cb -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.17 2q4i s ALA 73 CO 0.28 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.21 2q4i n GLY 74 N 3.00 0.04 2.92 0.00 0.00 -0.48 -0.96 105.19 109.71 2q4i n GLY 74 Ca -0.15 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 2q4i n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q4i s LEU 75 N 0.00 1.42 -0.25 0.99 2.96 -0.96 0.52 118.68 123.35 2q4i s LEU 75 Ca 0.00 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 2q4i s LEU 75 Cb 0.00 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.17 2q4i s LEU 75 CO 0.00 -0.03 0.02 0.00 -1.32 0.00 0.00 176.35 175.02 2q4i s VAL 77 N 1.51 5.18 0.36 0.00 1.01 0.55 -2.52 120.40 126.49 2q4i s VAL 77 Ca 0.05 0.67 -0.28 0.00 0.00 0.00 0.00 61.98 62.42 2q4i s VAL 77 Cb -0.15 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 2q4i s VAL 77 CO 0.00 0.21 1.35 -0.69 0.00 0.00 0.00 175.10 175.97 2q4i s VAL 78 N 1.62 2.52 -0.23 2.92 1.01 -0.92 -0.88 120.40 126.45 2q4i s VAL 78 Ca 0.18 0.51 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 2q4i s VAL 78 Cb -0.15 -3.32 -0.12 0.00 0.00 0.00 0.00 36.38 32.78 2q4i s VAL 78 CO 0.08 0.11 -0.25 -0.38 0.00 0.00 0.00 175.10 174.67 2q4i n ILE 79 N 0.58 1.26 -3.59 2.22 2.08 0.53 -4.03 119.36 118.41 2q4i n ILE 79 Ca 0.01 -0.40 -0.08 0.00 0.56 0.00 0.00 62.75 62.84 2q4i n ILE 79 Cb 0.41 -1.54 -0.05 0.00 -0.75 0.00 0.00 39.64 37.71 2q4i n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2q4i s GLU 80 N -2.43 0.46 0.38 0.38 -1.05 -1.14 -4.11 118.70 111.19 2q4i s GLU 80 Ca -0.31 0.10 -0.14 0.00 -0.15 0.00 0.00 54.97 54.47 2q4i s GLU 80 Cb 0.10 0.21 -0.08 0.00 -0.44 0.00 0.00 34.13 33.92 2q4i s GLU 80 CO 0.46 -0.14 0.80 -1.58 0.95 0.00 0.00 175.26 175.74 2q4i s HIS 81 N -1.13 3.41 -0.53 4.83 5.65 -1.26 -1.05 115.29 125.20 2q4i s HIS 81 Ca 0.01 1.23 0.04 0.00 0.25 0.00 0.00 55.06 56.59 2q4i s HIS 81 Cb -0.01 -2.57 0.16 0.00 -1.18 0.00 0.00 32.58 28.99 2q4i s HIS 81 CO -0.01 -0.05 0.37 0.08 -0.65 0.00 0.00 174.74 174.48 2q4i s VAL 82 N -2.21 1.59 0.64 0.89 1.01 -0.78 -4.92 120.40 116.62 2q4i s VAL 82 Ca 0.55 -3.25 0.20 0.00 0.00 0.00 0.00 61.98 59.47 2q4i s VAL 82 Cb -0.10 -2.07 0.24 0.00 0.00 0.00 0.00 36.38 34.44 2q4i s VAL 82 CO 0.23 -1.06 1.53 -0.65 0.00 0.00 0.00 175.10 175.15 2q4i h PRO 83 N 5.82 0.00 -0.39 2.72 0.11 -1.97 -0.23 132.00 138.07 2q4i h PRO 83 Ca 0.15 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 2q4i h PRO 83 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 2q4i h PRO 83 CO 0.53 0.00 -0.20 1.05 -0.21 0.00 0.00 178.00 179.17 2q4i h GLU 84 N 0.00 0.75 -0.38 1.05 4.11 -1.94 -3.23 114.58 114.95 2q4i h GLU 84 Ca 0.12 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2q4i h GLU 84 Cb 1.53 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2q4i h GLU 84 CO -0.00 0.89 0.00 1.63 0.07 0.00 0.00 179.01 181.60 2q4i n LYS 85 N -4.12 3.15 -4.25 1.06 4.76 -0.12 -4.97 118.16 113.67 2q4i n LYS 85 Ca 0.00 -2.60 -0.34 0.00 -2.87 0.00 0.00 58.31 52.50 2q4i n LYS 85 Cb 0.42 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 31.88 2q4i n LYS 85 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2q4i n LYS 86 N 0.19 -2.17 -1.19 1.97 4.76 -1.08 -4.86 118.16 115.78 2q4i n LYS 86 Ca 0.19 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 2q4i n LYS 86 Cb 0.75 -4.53 0.00 0.00 -1.84 0.00 0.00 35.03 29.41 2q4i n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2q4i n GLY 87 N -1.74 3.95 3.05 0.72 0.00 -1.24 -4.91 105.19 105.01 2q4i n GLY 87 Ca -0.10 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 2q4i n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q4i s GLU 88 N -1.01 0.56 -0.33 1.61 0.41 -1.26 -1.86 118.70 116.81 2q4i s GLU 88 Ca 0.00 -0.62 -0.11 0.00 -0.41 0.00 0.00 54.97 53.83 2q4i s GLU 88 Cb 0.00 -0.42 -0.01 0.00 -1.78 0.00 0.00 34.13 31.92 2q4i s GLU 88 CO 0.00 0.09 0.20 0.50 -0.49 0.00 0.00 175.26 175.57 2q4i s ARG 89 N -1.15 3.34 0.41 1.61 3.52 -0.22 -1.90 118.95 124.56 2q4i s ARG 89 Ca -0.05 -0.74 0.05 0.00 -0.13 0.00 0.00 55.73 54.86 2q4i s ARG 89 Cb -0.08 -3.71 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 2q4i s ARG 89 CO 0.00 -0.47 0.57 -0.06 -0.81 0.00 0.00 175.30 174.54 2q4i s PHE 90 N 1.66 3.00 -0.25 5.12 0.08 0.56 -0.34 117.98 127.81 2q4i s PHE 90 Ca 0.05 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.93 2q4i s PHE 90 Cb -0.17 -2.27 0.07 0.00 -0.57 0.00 0.00 43.02 40.07 2q4i s PHE 90 CO 0.08 -0.31 -0.03 -2.00 -0.10 0.00 0.00 175.22 172.86 2q4i s GLU 91 N -4.37 1.56 -0.13 0.44 -6.30 -0.06 -2.43 118.70 107.41 2q4i s GLU 91 Ca 0.50 -1.10 -0.01 0.00 -2.50 0.00 0.00 54.97 51.87 2q4i s GLU 91 Cb -0.10 -2.61 -0.02 0.00 0.00 0.00 0.00 34.13 31.40 2q4i s GLU 91 CO 0.34 -0.66 -0.12 0.00 0.02 0.00 0.00 175.26 174.83 2q4i s ALA 92 N 1.35 2.66 -0.37 6.30 0.00 -1.19 0.21 121.76 130.72 2q4i s ALA 92 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2q4i s ALA 92 Cb -0.19 -1.25 0.10 0.00 0.00 0.00 0.00 23.12 21.78 2q4i s ALA 92 CO -0.08 0.24 0.10 0.99 0.00 0.00 0.00 175.76 177.01 2q4i s THR 93 N 0.37 2.51 0.20 0.00 2.01 0.12 -3.21 115.64 117.64 2q4i s THR 93 Ca -0.10 -2.37 -0.15 0.00 0.31 0.00 0.00 61.69 59.38 2q4i s THR 93 Cb -0.16 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.55 2q4i s THR 93 CO 0.05 -0.63 0.46 -0.72 -0.69 0.00 0.00 174.62 173.09 2q4i s TYR 94 N 0.85 0.11 0.37 4.92 -0.85 -1.16 -2.27 117.35 119.32 2q4i s TYR 94 Ca 0.11 -0.47 0.08 0.00 -0.52 0.00 0.00 57.07 56.28 2q4i s TYR 94 Cb -0.20 0.25 -0.07 0.00 0.38 0.00 0.00 41.96 42.33 2q4i s TYR 94 CO -0.07 -0.90 -0.01 -1.12 -1.52 0.00 0.00 175.55 171.94 2q4i s SER 95 N -2.93 3.95 -0.17 -0.18 0.01 -0.14 -0.92 113.70 113.33 2q4i s SER 95 Ca 0.14 -1.20 -0.00 0.00 1.31 0.00 0.00 55.95 56.20 2q4i s SER 95 Cb -0.00 -0.42 0.04 0.00 0.21 0.00 0.00 66.02 65.85 2q4i s SER 95 CO 0.01 -0.33 -0.08 -0.36 0.41 0.00 0.00 173.24 172.89 2q4i s PHE 96 N -2.62 1.94 -0.16 2.43 0.08 -0.46 -0.21 117.98 118.97 2q4i s PHE 96 Ca 0.35 -1.21 -0.08 0.00 0.12 0.00 0.00 56.93 56.11 2q4i s PHE 96 Cb 0.05 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.02 2q4i s PHE 96 CO 0.18 -0.65 0.10 0.71 -0.10 0.00 0.00 175.22 175.46 2q4i s TYR 97 N 1.56 3.38 -0.64 0.36 2.02 -0.56 -1.69 117.35 121.77 2q4i s TYR 97 Ca 0.01 0.28 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 2q4i s TYR 97 Cb -0.15 -2.04 0.36 0.00 -0.40 0.00 0.00 41.96 39.73 2q4i s TYR 97 CO -0.08 0.38 1.22 1.19 -1.57 0.00 0.00 175.55 176.69 2q4i n PHE 98 N 2.98 3.61 -0.36 2.71 3.72 0.54 -3.40 117.46 127.26 2q4i n PHE 98 Ca -0.17 -3.41 0.00 0.00 -0.05 0.00 0.00 57.45 53.82 2q4i n PHE 98 Cb 0.53 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 2q4i n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2q4i n GLY 99 N -0.30 3.08 0.28 1.37 0.00 -1.11 -0.57 105.19 107.94 2q4i n GLY 99 Ca 0.37 -0.09 0.17 0.00 0.00 0.00 0.00 46.02 46.48 2q4i n GLY 99 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2q4i h ASP 100 N 0.72 0.00 0.56 1.61 3.32 -1.27 -3.30 116.42 118.06 2q4i h ASP 100 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2q4i h ASP 100 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2q4i h ASP 100 CO 0.00 0.00 -0.27 1.88 -1.72 0.00 0.00 179.24 179.13 2q4i h TYR 101 N 0.00 -0.70 0.00 4.55 0.05 -1.10 -3.47 116.97 116.30 2q4i h TYR 101 Ca -0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2q4i h TYR 101 Cb 0.50 0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.47 2q4i h TYR 101 CO 0.00 -0.43 0.00 0.41 -1.05 0.00 0.00 178.16 177.09 2q4i n GLY 102 N -0.34 -0.27 3.22 3.88 0.00 -1.17 -2.72 105.19 107.78 2q4i n GLY 102 Ca -0.09 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 2q4i n GLY 102 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2q4i s HIS 103 N -3.65 0.06 0.28 1.61 -3.43 -0.77 0.20 115.29 109.60 2q4i s HIS 103 Ca 0.00 -0.40 0.11 0.00 -0.80 0.00 0.00 55.06 53.97 2q4i s HIS 103 Cb 0.00 0.00 -0.05 0.00 -1.43 0.00 0.00 32.58 31.10 2q4i s HIS 103 CO 0.00 -0.54 -0.16 -0.51 -2.00 0.00 0.00 174.74 171.53 2q4i s LEU 104 N -2.62 2.70 0.02 5.38 1.43 -0.68 -1.64 118.68 123.25 2q4i s LEU 104 Ca 0.02 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.14 2q4i s LEU 104 Cb 0.03 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 2q4i s LEU 104 CO -0.09 0.01 -0.05 -0.94 0.23 0.00 0.00 176.35 175.51 2q4i s SER 105 N -3.55 0.57 0.25 2.29 1.04 -0.92 -1.35 113.70 112.04 2q4i s SER 105 Ca 0.31 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.46 2q4i s SER 105 Cb -0.04 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.03 2q4i s SER 105 CO 0.16 -0.11 -0.04 0.68 0.98 0.00 0.00 173.24 174.92 2q4i s VAL 106 N -0.82 1.35 -0.20 5.02 -7.23 -0.10 -0.86 120.40 117.56 2q4i s VAL 106 Ca -0.06 -2.08 -0.17 0.00 -1.81 0.00 0.00 61.98 57.86 2q4i s VAL 106 Cb -0.06 -2.38 0.05 0.00 0.56 0.00 0.00 36.38 34.55 2q4i s VAL 106 CO -0.00 -0.33 0.52 -1.58 -0.31 0.00 0.00 175.10 173.40 2q4i s GLN 107 N -3.79 0.60 0.00 4.82 0.74 -0.60 -2.99 119.66 118.44 2q4i s GLN 107 Ca 0.28 0.75 0.00 0.00 0.05 0.00 0.00 55.36 56.44 2q4i s GLN 107 Cb 0.05 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.42 2q4i s GLN 107 CO 0.10 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.17 2q4i n GLY 108 N 2.96 0.81 3.71 2.59 0.00 -1.20 -1.11 105.19 112.95 2q4i n GLY 108 Ca -0.14 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2q4i n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2q4i s PRO 109 N -2.00 4.25 -0.30 1.61 0.04 -1.26 -3.17 135.00 134.16 2q4i s PRO 109 Ca 0.00 2.25 0.03 0.00 0.04 0.00 0.00 61.00 63.32 2q4i s PRO 109 Cb 0.00 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 31.35 2q4i s PRO 109 CO 0.00 -0.57 0.00 -0.47 0.04 0.00 0.00 177.00 176.00 2q4i s TYR 110 N 1.43 3.19 -0.16 0.56 5.04 -1.02 -4.68 117.35 121.72 2q4i s TYR 110 Ca 0.69 -2.51 -0.06 0.00 -2.44 0.00 0.00 57.07 52.75 2q4i s TYR 110 Cb -0.40 -2.35 -0.04 0.00 0.35 0.00 0.00 41.96 39.52 2q4i s TYR 110 CO 0.31 -0.90 0.03 -0.51 -1.34 0.00 0.00 175.55 173.14 2q4i s LEU 111 N 1.11 3.67 0.42 6.97 1.43 -1.26 -0.32 118.68 130.71 2q4i s LEU 111 Ca 0.04 0.05 0.27 0.00 -1.03 0.00 0.00 54.13 53.46 2q4i s LEU 111 Cb -0.19 -1.91 0.80 0.00 0.03 0.00 0.00 46.19 44.92 2q4i s LEU 111 CO -0.09 0.20 1.76 0.71 0.23 0.00 0.00 176.35 179.17 2q4i h THR 112 N 4.83 0.00 -0.00 5.49 1.35 -1.77 -3.33 112.91 119.49 2q4i h THR 112 Ca -0.38 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2q4i h THR 112 Cb 1.18 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2q4i h THR 112 CO 0.67 0.00 -0.81 0.00 -0.25 0.00 0.00 175.52 175.13 2q4i n TYR 113 N -2.89 0.00 -3.49 4.73 0.18 -1.26 -4.93 117.16 109.50 2q4i n TYR 113 Ca 0.03 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.70 2q4i n TYR 113 Cb 0.41 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.35 2q4i n TYR 113 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 2q4i s GLU 114 N -2.64 1.27 0.76 -3.48 -1.05 -1.25 -5.10 118.70 107.21 2q4i s GLU 114 Ca 0.07 -0.55 -0.14 0.00 -0.15 0.00 0.00 54.97 54.20 2q4i s GLU 114 Cb 0.14 0.57 0.05 0.00 -0.44 0.00 0.00 34.13 34.45 2q4i s GLU 114 CO 0.71 -0.55 1.20 -0.51 0.95 0.00 0.00 175.26 177.07 2q4i s ASP 115 N -2.77 3.99 0.16 0.83 1.11 -1.26 -4.37 116.67 114.36 2q4i s ASP 115 Ca 0.02 2.35 -0.13 0.00 0.18 0.00 0.00 52.55 54.97 2q4i s ASP 115 Cb -0.01 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.41 2q4i s ASP 115 CO -0.12 -2.40 0.38 -0.94 1.18 0.00 0.00 175.17 173.27 2q4i s SER 116 N -2.10 -0.10 -0.11 0.27 1.04 -0.70 -4.94 113.70 107.06 2q4i s SER 116 Ca 0.74 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 56.52 2q4i s SER 116 Cb -0.29 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 2q4i s SER 116 CO 0.47 -0.93 -0.07 -0.36 0.98 0.00 0.00 173.24 173.33 2q4i s PHE 117 N -3.90 2.93 0.24 5.02 0.08 -1.26 -0.29 117.98 120.79 2q4i s PHE 117 Ca 0.11 -0.22 0.10 0.00 0.12 0.00 0.00 56.93 57.04 2q4i s PHE 117 Cb 0.02 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2q4i s PHE 117 CO -0.04 0.10 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.61 2q4i s LEU 118 N -0.18 3.04 0.29 -0.37 1.02 -0.83 -4.41 118.68 117.24 2q4i s LEU 118 Ca 0.02 -0.67 -0.28 0.00 0.02 0.00 0.00 54.13 53.22 2q4i s LEU 118 Cb -0.13 -1.62 -0.10 0.00 0.02 0.00 0.00 46.19 44.37 2q4i s LEU 118 CO 0.03 0.04 0.94 0.00 0.02 0.00 0.00 176.35 177.38 2q4i s ALA 119 N -2.13 3.26 -0.37 4.21 0.00 -0.27 -1.18 121.76 125.29 2q4i s ALA 119 Ca 0.29 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 2q4i s ALA 119 Cb -0.07 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2q4i s ALA 119 CO 0.18 0.18 0.48 0.42 0.00 0.00 0.00 175.76 177.02 2q4i s ILE 120 N -1.43 5.04 -0.68 0.00 1.01 0.19 -1.55 121.20 123.78 2q4i s ILE 120 Ca 0.46 0.14 0.25 0.00 0.00 0.00 0.00 60.65 61.50 2q4i s ILE 120 Cb -0.22 -3.97 0.08 0.00 0.01 0.00 0.00 42.46 38.37 2q4i s ILE 120 CO 0.27 -0.26 1.40 0.35 0.00 0.00 0.00 174.94 176.70 2q4i n THR 121 N 5.43 0.37 -0.53 2.92 -2.24 -0.04 -4.04 114.28 116.14 2q4i n THR 121 Ca -0.06 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2q4i n THR 121 Cb 0.49 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2q4i n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q4i n GLY 122 N 1.34 -2.51 2.52 3.38 0.00 -1.24 -4.99 105.19 103.68 2q4i n GLY 122 Ca 0.04 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.64 2q4i n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q4i n GLY 123 N -0.91 1.45 3.21 -0.02 0.00 -1.25 -2.16 105.19 105.51 2q4i n GLY 123 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 2q4i n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q4i s ALA 124 N -1.82 -0.31 0.00 4.61 0.00 -0.65 -4.24 121.76 119.35 2q4i s ALA 124 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2q4i s ALA 124 Cb -0.03 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.53 2q4i s ALA 124 CO 0.09 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2q4i n GLY 125 N 0.12 0.44 0.02 0.00 0.00 -1.26 -1.84 105.19 102.67 2q4i n GLY 125 Ca -0.16 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 45.02 2q4i n GLY 125 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2q4i n ILE 126 N 0.00 1.35 0.63 -0.61 -5.35 -1.10 -1.31 119.36 112.96 2q4i n ILE 126 Ca 0.00 0.37 0.10 0.00 -0.27 0.00 0.00 62.75 62.95 2q4i n ILE 126 Cb 0.00 -1.24 0.27 0.00 -1.74 0.00 0.00 39.64 36.93 2q4i n ILE 126 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2q4i n PHE 127 N -1.61 0.47 -1.74 4.28 3.72 -1.01 -4.32 117.46 117.24 2q4i n PHE 127 Ca 0.02 -0.23 -0.39 0.00 -0.05 0.00 0.00 57.45 56.79 2q4i n PHE 127 Cb 0.10 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.67 2q4i n PHE 127 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2q4i n GLU 128 N 0.95 1.91 -0.20 -1.08 0.00 -0.43 -1.93 120.64 119.87 2q4i n GLU 128 Ca 0.18 0.69 0.00 0.00 0.00 0.00 0.00 57.16 58.03 2q4i n GLU 128 Cb 0.46 -2.56 0.00 0.00 0.00 0.00 0.00 31.44 29.34 2q4i n GLU 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2q4i n GLY 129 N 0.71 1.41 3.72 8.31 0.00 -1.26 -4.12 105.19 113.96 2q4i n GLY 129 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2q4i n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q4i n ALA 130 N -0.64 2.07 -3.22 4.61 0.00 -0.81 -4.38 120.51 118.13 2q4i n ALA 130 Ca 0.00 0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.73 2q4i n ALA 130 Cb 0.00 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.01 2q4i n ALA 130 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2q4i s TYR 131 N -0.07 0.38 0.00 0.00 -0.85 -0.45 -3.69 117.35 112.66 2q4i s TYR 131 Ca 0.65 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 56.44 2q4i s TYR 131 Cb -0.54 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.02 2q4i s TYR 131 CO 0.50 -1.05 0.00 0.41 -1.52 0.00 0.00 175.55 173.89 2q4i n GLY 132 N -0.41 0.31 3.32 5.49 0.00 -1.26 -2.01 105.19 110.63 2q4i n GLY 132 Ca -0.02 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.70 2q4i n GLY 132 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2q4i s GLN 133 N 0.00 1.28 -0.11 1.61 -2.07 -1.24 -0.64 119.66 118.49 2q4i s GLN 133 Ca 0.00 -1.61 0.00 0.00 -1.82 0.00 0.00 55.36 51.93 2q4i s GLN 133 Cb 0.00 -0.74 0.02 0.00 -1.09 0.00 0.00 33.01 31.21 2q4i s GLN 133 CO 0.00 0.00 -0.09 0.54 -1.32 0.00 0.00 175.29 174.42 2q4i s VAL 134 N -3.29 1.09 0.26 3.63 0.11 -0.33 0.65 120.40 122.52 2q4i s VAL 134 Ca 0.24 -0.35 -0.29 0.00 -2.93 0.00 0.00 61.98 58.65 2q4i s VAL 134 Cb 0.04 -1.08 -0.09 0.00 -1.53 0.00 0.00 36.38 33.71 2q4i s VAL 134 CO 0.06 0.37 1.22 -0.75 -3.33 0.00 0.00 175.10 172.67 2q4i s LYS 135 N 1.52 4.48 -0.29 1.54 2.20 0.19 -1.96 119.74 127.42 2q4i s LYS 135 Ca 0.02 1.98 0.03 0.00 -0.36 0.00 0.00 55.97 57.64 2q4i s LYS 135 Cb -0.13 -3.17 0.07 0.00 -1.51 0.00 0.00 37.83 33.09 2q4i s LYS 135 CO -0.07 -0.05 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.65 2q4i s LEU 136 N -1.02 3.89 -0.30 5.43 0.20 0.60 -1.94 118.68 125.54 2q4i s LEU 136 Ca 0.50 -1.65 -0.09 0.00 0.69 0.00 0.00 54.13 53.58 2q4i s LEU 136 Cb -0.35 -1.58 -0.01 0.00 -0.43 0.00 0.00 46.19 43.82 2q4i s LEU 136 CO 0.43 -0.25 0.14 -1.10 -0.29 0.00 0.00 176.35 175.27 2q4i s GLN 137 N 1.04 3.34 -0.34 1.98 -0.21 -0.32 -1.72 119.66 123.43 2q4i s GLN 137 Ca -0.02 -0.71 -0.17 0.00 0.02 0.00 0.00 55.36 54.47 2q4i s GLN 137 Cb -0.20 -3.53 -0.01 0.00 1.00 0.00 0.00 33.01 30.28 2q4i s GLN 137 CO -0.06 -0.40 0.47 -1.14 -2.12 0.00 0.00 175.29 172.04 2q4i s GLN 138 N 1.60 3.63 -0.13 2.91 0.74 -1.26 -1.42 119.66 125.73 2q4i s GLN 138 Ca 0.05 -0.21 -0.13 0.00 0.05 0.00 0.00 55.36 55.12 2q4i s GLN 138 Cb -0.17 -3.80 -0.11 0.00 1.10 0.00 0.00 33.01 30.03 2q4i s GLN 138 CO 0.06 -0.59 0.26 -0.07 -0.55 0.00 0.00 175.29 174.39 2q4i h LEU 139 N 8.98 0.00 -7.49 3.68 4.07 -1.85 -3.46 115.31 119.23 2q4i h LEU 139 Ca -0.28 -0.39 -0.42 0.00 0.08 0.00 0.00 57.88 56.86 2q4i h LEU 139 Cb 1.13 0.00 -0.38 0.00 1.08 0.00 0.00 40.66 42.49 2q4i h LEU 139 CO 0.75 0.80 -0.76 -0.69 -1.08 0.00 0.00 178.44 177.45 2q4i s VAL 140 N -1.94 0.33 -0.11 1.22 1.01 -0.91 -4.74 120.40 115.26 2q4i s VAL 140 Ca -0.11 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 2q4i s VAL 140 Cb -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2q4i s VAL 140 CO 0.32 0.24 0.79 -0.47 0.00 0.00 0.00 175.10 175.98 2q4i s TYR 141 N 1.87 3.51 -0.27 5.22 6.14 -1.26 -1.20 117.35 131.36 2q4i s TYR 141 Ca 0.03 1.29 0.10 0.00 0.64 0.00 0.00 57.07 59.13 2q4i s TYR 141 Cb -0.12 -2.93 0.48 0.00 0.42 0.00 0.00 41.96 39.81 2q4i s TYR 141 CO -0.04 -0.08 1.40 -0.35 0.64 0.00 0.00 175.55 177.12 2q4i n PRO 142 N 4.48 1.79 0.05 4.97 -0.04 -1.26 -4.94 135.00 140.05 2q4i n PRO 142 Ca 0.02 -3.20 0.06 0.00 -0.04 0.00 0.00 63.50 60.34 2q4i n PRO 142 Cb 0.50 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 2q4i n PRO 142 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2q4i n THR 143 N -1.12 0.80 -3.97 0.52 -2.24 -0.43 -4.64 114.28 103.20 2q4i n THR 143 Ca 0.29 -0.61 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 2q4i n THR 143 Cb 0.94 -0.46 -0.17 0.00 -2.10 0.00 0.00 70.33 68.55 2q4i n THR 143 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2q4i s LYS 144 N -3.18 0.62 0.12 -0.78 1.02 -0.34 -1.26 119.74 115.94 2q4i s LYS 144 Ca -0.03 0.01 0.06 0.00 0.02 0.00 0.00 55.97 56.04 2q4i s LYS 144 Cb 0.10 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.57 2q4i s LYS 144 CO 0.81 -0.17 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.42 2q4i s LEU 145 N 1.31 2.39 -0.02 3.17 1.02 -0.13 -2.15 118.68 124.26 2q4i s LEU 145 Ca -0.05 -0.79 0.05 0.00 0.02 0.00 0.00 54.13 53.36 2q4i s LEU 145 Cb -0.13 -0.58 -0.01 0.00 0.02 0.00 0.00 46.19 45.49 2q4i s LEU 145 CO -0.02 -0.12 -0.18 0.12 0.02 0.00 0.00 176.35 176.17 2q4i s PHE 146 N -2.00 1.66 -0.00 0.29 5.36 -0.51 -0.49 117.98 122.30 2q4i s PHE 146 Ca 0.08 -0.38 0.04 0.00 -0.96 0.00 0.00 56.93 55.71 2q4i s PHE 146 Cb -0.06 -1.09 -0.01 0.00 -0.34 0.00 0.00 43.02 41.52 2q4i s PHE 146 CO 0.03 -0.08 -0.12 0.71 -1.46 0.00 0.00 175.22 174.30 2q4i s TYR 147 N -0.25 1.05 -0.17 10.12 2.02 0.47 -1.17 117.35 129.42 2q4i s TYR 147 Ca 0.03 -0.22 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 2q4i s TYR 147 Cb -0.09 -0.66 0.05 0.00 -0.40 0.00 0.00 41.96 40.85 2q4i s TYR 147 CO 0.00 -0.01 -0.02 0.99 -1.57 0.00 0.00 175.55 174.94 2q4i s THR 148 N -0.38 0.90 -0.38 -0.71 2.01 -0.82 -0.37 115.64 115.89 2q4i s THR 148 Ca 0.04 -0.56 -0.23 0.00 0.31 0.00 0.00 61.69 61.24 2q4i s THR 148 Cb -0.05 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.31 2q4i s THR 148 CO -0.00 0.04 0.79 -0.36 -0.69 0.00 0.00 174.62 174.40 2q4i s PHE 149 N 1.72 3.08 -0.91 4.92 0.08 0.84 0.54 117.98 128.25 2q4i s PHE 149 Ca 0.00 0.47 -0.24 0.00 0.12 0.00 0.00 56.93 57.28 2q4i s PHE 149 Cb -0.16 -3.48 0.03 0.00 -0.57 0.00 0.00 43.02 38.84 2q4i s PHE 149 CO -0.07 -0.80 1.47 0.71 -0.10 0.00 0.00 175.22 176.43 2q4i s TYR 150 N 3.17 2.34 0.23 0.36 2.02 0.21 -3.15 117.35 122.53 2q4i s TYR 150 Ca 0.31 -0.38 -0.12 0.00 -0.37 0.00 0.00 57.07 56.51 2q4i s TYR 150 Cb -0.13 -4.58 -0.08 0.00 -0.40 0.00 0.00 41.96 36.78 2q4i s TYR 150 CO 0.18 -1.98 0.60 -0.51 -1.57 0.00 0.00 175.55 172.28 2q4i s LEU 151 N 5.94 4.19 0.00 -1.29 1.43 -0.82 -3.62 118.68 124.51 2q4i s LEU 151 Ca 0.46 1.07 -0.04 0.00 -1.03 0.00 0.00 54.13 54.59 2q4i s LEU 151 Cb -0.04 -3.69 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 2q4i s LEU 151 CO -0.00 -0.06 0.08 -0.54 0.23 0.00 0.00 176.35 176.05 2q4i s LYS 152 N -2.63 0.39 0.00 1.70 1.02 -0.85 -1.79 119.74 117.57 2q4i s LYS 152 Ca 0.47 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.05 2q4i s LYS 152 Cb -0.12 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 2q4i s LYS 152 CO 0.20 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 2q4i n GLY 153 N 1.67 0.64 0.72 -3.33 0.00 -1.26 -1.34 105.19 102.29 2q4i n GLY 153 Ca -0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 2q4i n GLY 153 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q4i n LEU 154 N 0.00 0.00 -0.01 0.99 4.32 -1.26 -4.32 117.00 116.72 2q4i n LEU 154 Ca 0.00 -0.23 0.09 0.00 -0.02 0.00 0.00 56.01 55.85 2q4i n LEU 154 Cb 0.00 -0.21 -0.14 0.00 -1.62 0.00 0.00 43.42 41.45 2q4i n LEU 154 CO 0.00 -1.33 -0.62 0.00 -1.22 0.00 0.00 177.39 174.22 2q4i n ALA 155 N -3.42 2.96 -3.50 -1.18 0.00 -1.26 -4.98 120.51 109.13 2q4i n ALA 155 Ca -0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 53.44 52.86 2q4i n ALA 155 Cb 0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 2q4i n ALA 155 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2q4i s ASN 156 N -3.94 -0.12 0.47 0.00 -0.87 -1.26 -5.14 114.94 104.08 2q4i s ASN 156 Ca -0.05 -0.83 -0.23 0.00 -1.57 0.00 0.00 52.86 50.18 2q4i s ASN 156 Cb 0.12 0.67 -0.07 0.00 -0.02 0.00 0.00 41.25 41.95 2q4i s ASN 156 CO 0.78 -1.27 1.28 -1.81 -2.57 0.00 0.00 177.10 173.50 2q4i s ASP 157 N -2.99 5.90 0.28 -1.22 1.01 -1.26 -4.95 116.67 113.44 2q4i s ASP 157 Ca 0.17 2.57 -0.30 0.00 0.71 0.00 0.00 52.55 55.71 2q4i s ASP 157 Cb -0.03 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.17 2q4i s ASP 157 CO 0.09 -1.12 1.44 -0.76 0.21 0.00 0.00 175.17 175.02 2q4i s LEU 158 N -3.02 4.38 0.54 1.23 1.43 -1.26 -4.93 118.68 117.05 2q4i s LEU 158 Ca 0.64 2.74 -0.20 0.00 -1.03 0.00 0.00 54.13 56.29 2q4i s LEU 158 Cb -0.36 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.15 2q4i s LEU 158 CO 0.44 -0.71 0.78 -0.81 0.23 0.00 0.00 176.35 176.27 2q4i n PRO 159 N 1.83 0.81 0.01 1.29 -0.04 -1.26 -4.84 135.00 132.80 2q4i n PRO 159 Ca 0.05 0.31 0.04 0.00 -0.04 0.00 0.00 63.50 63.85 2q4i n PRO 159 Cb 0.40 -1.92 0.41 0.00 -0.04 0.00 0.00 33.50 32.35 2q4i n PRO 159 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2q4i h LEU 160 N 0.61 0.46 -0.10 1.53 3.38 -1.96 -2.48 115.31 116.75 2q4i h LEU 160 Ca -0.46 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2q4i h LEU 160 Cb 1.37 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2q4i h LEU 160 CO 0.51 0.36 0.00 -1.84 0.09 0.00 0.00 178.44 177.56 2q4i n GLU 161 N -4.45 0.02 0.00 1.13 0.28 -1.26 -1.57 120.64 114.80 2q4i n GLU 161 Ca 0.03 0.34 0.11 0.00 -0.16 0.00 0.00 57.16 57.47 2q4i n GLU 161 Cb 0.08 -1.55 -0.15 0.00 1.43 0.00 0.00 31.44 31.26 2q4i n GLU 161 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2q4i n LEU 162 N -1.59 0.17 -1.60 -1.84 4.77 -0.94 -4.59 117.00 111.39 2q4i n LEU 162 Ca 0.02 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2q4i n LEU 162 Cb 0.13 -0.01 0.11 0.00 -2.33 0.00 0.00 43.42 41.33 2q4i n LEU 162 CO 0.11 0.01 0.55 0.35 -1.33 0.00 0.00 177.39 177.08 2q4i n THR 163 N -2.21 2.65 -2.02 -5.08 -2.24 -0.61 -4.63 114.28 100.15 2q4i n THR 163 Ca -0.03 -3.43 -0.37 0.00 -2.27 0.00 0.00 64.05 57.95 2q4i n THR 163 Cb 0.54 -0.75 0.02 0.00 -2.10 0.00 0.00 70.33 68.04 2q4i n THR 163 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2q4i s GLY 164 N -2.95 2.81 -0.13 3.38 0.00 -1.22 -4.86 107.32 104.34 2q4i s GLY 164 Ca 0.49 1.10 -0.38 0.00 0.00 0.00 0.00 44.72 45.93 2q4i s GLY 164 CO 0.00 1.56 1.65 2.41 0.00 0.00 0.00 173.10 178.73 2q4i n THR 165 N -0.99 0.25 -1.80 0.90 -1.04 -1.26 -4.19 114.28 106.15 2q4i n THR 165 Ca 0.10 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.05 61.68 2q4i n THR 165 Cb 0.47 -1.23 0.03 0.00 -1.82 0.00 0.00 70.33 67.78 2q4i n THR 165 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2q4i s PRO 166 N 2.69 3.43 -0.03 -2.82 0.02 -1.25 -4.25 135.00 132.78 2q4i s PRO 166 Ca 0.93 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.98 2q4i s PRO 166 Cb -0.97 -2.47 -0.04 0.00 0.02 0.00 0.00 34.50 31.04 2q4i s PRO 166 CO 0.57 -0.99 1.28 0.08 -0.33 0.00 0.00 177.00 177.62 2q4i s VAL 167 N -1.25 4.03 0.12 3.83 1.01 0.30 -4.87 120.40 123.57 2q4i s VAL 167 Ca 0.66 1.38 -0.35 0.00 0.00 0.00 0.00 61.98 63.67 2q4i s VAL 167 Cb -0.42 -3.89 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 2q4i s VAL 167 CO 0.52 -0.00 1.48 -2.65 0.00 0.00 0.00 175.10 174.45 2q4i n PRO 168 N 5.26 1.70 -2.09 2.72 -0.02 -1.26 -4.86 135.00 136.45 2q4i n PRO 168 Ca 0.12 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 2q4i n PRO 168 Cb 0.45 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 2q4i n PRO 168 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2q4i s PRO 169 N 0.77 4.31 0.22 0.52 0.04 -1.26 -4.97 135.00 134.63 2q4i s PRO 169 Ca 0.81 2.20 -0.11 0.00 0.04 0.00 0.00 61.00 63.95 2q4i s PRO 169 Cb -0.80 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 30.58 2q4i s PRO 169 CO 0.42 -0.38 0.40 -1.54 0.04 0.00 0.00 177.00 175.94 2q4i s SER 170 N 0.48 -0.05 0.52 6.66 1.04 -1.26 -5.05 113.70 116.05 2q4i s SER 170 Ca 0.60 -0.95 0.30 0.00 0.48 0.00 0.00 55.95 56.38 2q4i s SER 170 Cb -0.40 0.53 1.34 0.00 0.10 0.00 0.00 66.02 67.59 2q4i s SER 170 CO 0.39 -1.05 1.99 0.07 0.98 0.00 0.00 173.24 175.62 2q4i h LYS 171 N 2.35 0.00 -0.54 4.02 2.10 -1.95 -3.16 116.57 119.40 2q4i h LYS 171 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2q4i h LYS 171 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2q4i h LYS 171 CO 0.40 0.10 0.00 -0.25 -2.00 0.00 0.00 179.45 177.70 2q4i n ASP 172 N -3.30 5.14 -4.73 7.07 8.00 -1.26 -4.92 116.55 122.55 2q4i n ASP 172 Ca -0.00 -2.80 -0.35 0.00 0.71 0.00 0.00 54.79 52.34 2q4i n ASP 172 Cb 0.31 -0.63 0.08 0.00 -0.02 0.00 0.00 41.12 40.86 2q4i n ASP 172 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2q4i s ILE 173 N -2.50 2.31 -0.11 0.53 -5.25 -1.20 -5.03 121.20 109.96 2q4i s ILE 173 Ca 0.51 0.17 -0.09 0.00 -0.99 0.00 0.00 60.65 60.25 2q4i s ILE 173 Cb 0.38 -2.87 0.03 0.00 2.95 0.00 0.00 42.46 42.95 2q4i s ILE 173 CO 0.17 -0.07 0.28 -1.61 -1.79 0.00 0.00 174.94 171.93 2q4i s GLU 174 N -3.69 0.31 0.79 0.37 0.41 -1.26 -5.07 118.70 110.56 2q4i s GLU 174 Ca 0.77 0.44 -0.14 0.00 -0.41 0.00 0.00 54.97 55.62 2q4i s GLU 174 Cb -0.31 0.10 0.05 0.00 -1.78 0.00 0.00 34.13 32.20 2q4i s GLU 174 CO 0.42 -0.07 1.07 -2.30 -0.49 0.00 0.00 175.26 173.89 2q4i n PRO 175 N 3.21 0.27 -1.71 0.39 -0.02 -1.26 -4.88 135.00 131.00 2q4i n PRO 175 Ca -0.15 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 2q4i n PRO 175 Cb 0.57 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2q4i n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q4i n ALA 176 N -3.04 1.42 -0.18 3.55 0.00 -0.35 -4.80 120.51 117.11 2q4i n ALA 176 Ca 0.13 0.32 0.13 0.00 0.00 0.00 0.00 53.44 54.01 2q4i n ALA 176 Cb 0.50 -2.28 0.45 0.00 0.00 0.00 0.00 19.45 18.12 2q4i n ALA 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2q4i h PRO 177 N 2.39 0.52 0.00 0.00 0.11 -1.91 -0.32 132.00 132.79 2q4i h PRO 177 Ca -0.47 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2q4i h PRO 177 Cb 1.28 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2q4i h PRO 177 CO 0.62 0.35 -0.32 0.93 -0.21 0.00 0.00 178.00 179.36 2q4i h GLU 178 N 0.54 0.00 -0.06 1.05 3.07 -1.94 -1.65 114.58 115.58 2q4i h GLU 178 Ca 0.37 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.08 2q4i h GLU 178 Cb 0.69 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2q4i h GLU 178 CO -0.13 0.32 -0.61 0.00 -1.40 0.00 0.00 179.01 177.18 2q4i h ALA 179 N 1.68 0.84 0.00 3.43 0.00 -1.20 -1.63 119.26 122.39 2q4i h ALA 179 Ca -0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 2q4i h ALA 179 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2q4i h ALA 179 CO 0.04 0.73 -0.67 0.87 0.00 0.00 0.00 179.25 180.23 2q4i h LYS 180 N 0.17 0.00 -0.00 0.00 1.57 -1.02 -3.23 116.57 114.06 2q4i h LYS 180 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2q4i h LYS 180 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2q4i h LYS 180 CO 0.09 0.67 -0.20 0.00 -0.57 0.00 0.00 179.45 179.44 2q4i n ALA 181 N -2.35 2.95 -2.47 3.86 0.00 -0.66 -4.95 120.51 116.89 2q4i n ALA 181 Ca -0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 53.44 52.94 2q4i n ALA 181 Cb 0.71 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2q4i n ALA 181 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2q4i n LEU 182 N -0.91 -1.97 -4.83 0.00 4.77 -0.66 -5.00 117.00 108.40 2q4i n LEU 182 Ca 0.12 -0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.70 2q4i n LEU 182 Cb 0.31 -2.54 -0.06 0.00 -2.33 0.00 0.00 43.42 38.80 2q4i n LEU 182 CO 0.26 -0.08 0.65 -1.61 -1.33 0.00 0.00 177.39 175.27 2q4i s GLU 183 N -5.03 4.17 0.30 3.23 2.02 -0.92 -4.89 118.70 117.58 2q4i s GLU 183 Ca 0.06 1.07 0.06 0.00 0.02 0.00 0.00 54.97 56.18 2q4i s GLU 183 Cb -0.03 -2.18 0.82 0.00 0.10 0.00 0.00 34.13 32.84 2q4i s GLU 183 CO 0.08 -0.07 1.66 -1.35 0.02 0.00 0.00 175.26 175.61 2q4i h PRO 184 N 1.74 0.28 0.00 0.39 0.11 -1.92 0.77 132.00 133.37 2q4i h PRO 184 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2q4i h PRO 184 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2q4i h PRO 184 CO 0.61 0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 177.46 2q4i n SER 185 N -5.13 0.00 -0.12 -2.05 3.41 -1.26 -2.68 113.62 105.79 2q4i n SER 185 Ca 0.25 0.11 0.02 0.00 -0.26 0.00 0.00 58.87 58.99 2q4i n SER 185 Cb 0.76 -0.28 0.04 0.00 -0.26 0.00 0.00 64.21 64.47 2q4i n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q4i n GLY 186 N -0.33 3.13 3.10 5.00 0.00 0.27 -4.89 105.19 111.46 2q4i n GLY 186 Ca 0.05 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 2q4i n GLY 186 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2q4i s VAL 187 N -1.18 0.55 0.55 1.61 -7.23 -1.09 -0.32 120.40 113.28 2q4i s VAL 187 Ca 0.07 -1.42 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 2q4i s VAL 187 Cb 0.05 -1.03 0.01 0.00 0.56 0.00 0.00 36.38 35.97 2q4i s VAL 187 CO 0.03 -0.61 0.82 0.27 -0.31 0.00 0.00 175.10 175.30 2q4i s ILE 188 N -2.35 3.55 0.13 -0.62 -4.36 0.26 -4.81 121.20 113.00 2q4i s ILE 188 Ca -0.01 -0.26 -0.35 0.00 -0.26 0.00 0.00 60.65 59.77 2q4i s ILE 188 Cb -0.03 -3.38 -0.15 0.00 1.25 0.00 0.00 42.46 40.15 2q4i s ILE 188 CO -0.02 -0.33 1.51 -1.20 0.24 0.00 0.00 174.94 175.13 2q4i n SER 189 N -2.41 2.62 -3.73 4.36 7.64 -1.26 -2.73 113.62 118.12 2q4i n SER 189 Ca 0.04 1.09 -0.27 0.00 1.01 0.00 0.00 58.87 60.75 2q4i n SER 189 Cb 0.58 -1.35 0.03 0.00 -1.01 0.00 0.00 64.21 62.46 2q4i n SER 189 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2q4i n ASN 190 N 3.23 -3.18 -4.73 6.43 5.15 -1.26 -1.35 115.26 119.55 2q4i n ASN 190 Ca 0.18 -0.95 -0.42 0.00 -0.60 0.00 0.00 54.58 52.79 2q4i n ASN 190 Cb 0.25 -3.57 -0.02 0.00 -0.53 0.00 0.00 39.78 35.91 2q4i n ASN 190 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 2q4i s TYR 191 N -3.63 2.96 0.22 1.20 -0.85 -1.10 -3.60 117.35 112.54 2q4i s TYR 191 Ca 0.25 0.75 -0.30 0.00 -0.52 0.00 0.00 57.07 57.25 2q4i s TYR 191 Cb -0.08 -3.95 -0.09 0.00 0.38 0.00 0.00 41.96 38.21 2q4i s TYR 191 CO 0.85 -3.33 1.37 0.99 -1.52 0.00 0.00 175.55 173.91 2q4i s THR 192 N 0.53 2.96 0.00 -3.49 2.01 -1.20 -4.91 115.64 111.54 2q4i s THR 192 Ca 0.66 0.79 0.00 0.00 0.31 0.00 0.00 61.69 63.45 2q4i s THR 192 Cb -0.45 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.56 2q4i s THR 192 CO 0.39 0.12 0.22 -3.20 -0.69 0.00 0.00 174.62 171.46