#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 5.15 -0.18 0.58 1.01 -1.25 -4.35 120.40 121.35 2q4i s VAL 21 Ca 0.00 0.51 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 2q4i s VAL 21 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2q4i s VAL 21 CO 0.00 0.09 0.08 -1.10 0.00 0.00 0.00 175.10 174.17 2q4i s GLN 22 N 2.11 4.02 -0.02 2.72 -0.21 0.06 -4.88 119.66 123.46 2q4i s GLN 22 Ca 0.15 -0.30 -0.19 0.00 0.02 0.00 0.00 55.36 55.04 2q4i s GLN 22 Cb -0.16 -3.27 -0.05 0.00 1.00 0.00 0.00 33.01 30.53 2q4i s GLN 22 CO 0.10 0.30 0.53 -1.21 -2.12 0.00 0.00 175.29 172.90 2q4i s GLU 23 N 0.31 4.24 -0.07 2.91 2.02 -1.26 -0.54 118.70 126.32 2q4i s GLU 23 Ca 0.05 0.61 0.01 0.00 0.02 0.00 0.00 54.97 55.66 2q4i s GLU 23 Cb -0.12 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.80 2q4i s GLU 23 CO -0.00 0.40 -0.08 -1.17 0.02 0.00 0.00 175.26 174.42 2q4i s LEU 24 N -0.23 1.36 -0.09 1.80 2.96 -1.04 -4.97 118.68 118.47 2q4i s LEU 24 Ca 0.28 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 2q4i s LEU 24 Cb -0.17 -0.68 0.00 0.00 0.50 0.00 0.00 46.19 45.84 2q4i s LEU 24 CO 0.15 -0.05 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.46 2q4i s SER 25 N 1.08 3.00 0.14 3.68 0.01 -1.25 -0.22 113.70 120.14 2q4i s SER 25 Ca -0.08 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 56.69 2q4i s SER 25 Cb -0.14 -1.33 -0.04 0.00 0.21 0.00 0.00 66.02 64.72 2q4i s SER 25 CO -0.01 0.16 -0.11 0.68 0.41 0.00 0.00 173.24 174.37 2q4i s VAL 26 N 0.32 1.23 -0.12 3.43 -7.23 -0.06 0.09 120.40 118.06 2q4i s VAL 26 Ca -0.18 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.03 2q4i s VAL 26 Cb -0.18 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.99 2q4i s VAL 26 CO 0.08 -0.66 -0.14 -0.31 -0.31 0.00 0.00 175.10 173.76 2q4i s TYR 27 N -2.99 2.77 -0.15 2.82 2.02 0.20 -0.59 117.35 121.44 2q4i s TYR 27 Ca 0.15 -0.62 -0.05 0.00 -0.37 0.00 0.00 57.07 56.18 2q4i s TYR 27 Cb 0.00 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 2q4i s TYR 27 CO 0.02 -0.18 0.01 -2.00 -1.57 0.00 0.00 175.55 171.82 2q4i s GLU 28 N 0.21 3.62 -0.05 -0.62 2.12 -0.38 -0.31 118.70 123.29 2q4i s GLU 28 Ca -0.09 -0.43 -0.00 0.00 0.36 0.00 0.00 54.97 54.81 2q4i s GLU 28 Cb -0.15 -2.99 0.03 0.00 0.26 0.00 0.00 34.13 31.27 2q4i s GLU 28 CO 0.05 0.36 -0.01 0.42 -0.54 0.00 0.00 175.26 175.55 2q4i s ILE 29 N 0.06 0.35 -0.47 -3.70 -1.09 0.32 -1.11 121.20 115.57 2q4i s ILE 29 Ca 0.02 0.04 -0.21 0.00 -2.23 0.00 0.00 60.65 58.27 2q4i s ILE 29 Cb -0.13 -0.45 0.03 0.00 -1.58 0.00 0.00 42.46 40.33 2q4i s ILE 29 CO 0.02 0.21 0.71 0.21 -1.23 0.00 0.00 174.94 174.86 2q4i s ASN 30 N 1.33 6.32 -0.09 3.58 3.84 -1.04 -1.21 114.94 127.67 2q4i s ASN 30 Ca -0.05 -0.44 0.16 0.00 0.21 0.00 0.00 52.86 52.74 2q4i s ASN 30 Cb -0.13 -2.34 0.60 0.00 -0.55 0.00 0.00 41.25 38.83 2q4i s ASN 30 CO -0.02 -0.89 1.48 -0.62 -2.79 0.00 0.00 177.10 174.26 2q4i n GLU 31 N 6.49 3.21 -1.66 0.43 1.02 -1.26 -4.74 120.64 124.14 2q4i n GLU 31 Ca -0.02 -2.37 -0.18 0.00 -0.02 0.00 0.00 57.16 54.57 2q4i n GLU 31 Cb 0.47 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 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 0.95 -1.39 -0.14 -4.62 7.99 -1.26 -4.82 117.00 113.71 2q4i n LEU 32 Ca 0.22 0.40 0.09 0.00 -0.01 0.00 0.00 56.01 56.70 2q4i n LEU 32 Cb 0.74 -2.60 0.14 0.00 -0.11 0.00 0.00 43.42 41.59 2q4i n LEU 32 CO 0.20 -0.85 0.58 -0.90 -1.51 0.00 0.00 177.39 174.90 2q4i n ASP 33 N -1.21 2.45 -0.55 -1.43 5.75 -1.26 -4.49 116.55 115.80 2q4i n ASP 33 Ca -0.19 -2.98 0.06 0.00 -0.01 0.00 0.00 54.79 51.67 2q4i n ASP 33 Cb 0.61 -0.40 0.13 0.00 -1.03 0.00 0.00 41.12 40.43 2q4i n ASP 33 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2q4i n ARG 34 N -1.27 1.00 -1.72 0.11 1.74 -1.26 -4.95 116.66 110.31 2q4i n ARG 34 Ca 0.15 -2.52 -0.20 0.00 -0.77 0.00 0.00 57.85 54.52 2q4i n ARG 34 Cb 0.63 -1.16 -0.07 0.00 -1.02 0.00 0.00 32.46 30.84 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 -0.80 -0.23 -4.87 -1.55 8.25 -1.26 -4.87 115.22 109.89 2q4i n HIS 35 Ca 0.13 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.26 2q4i n HIS 35 Cb 0.75 -3.44 -0.13 0.00 1.12 0.00 0.00 29.99 28.29 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 -2.57 4.01 0.66 0.41 0.15 -1.26 -3.89 113.70 111.21 2q4i s SER 36 Ca 0.00 -0.23 -0.11 0.00 0.70 0.00 0.00 55.95 56.31 2q4i s SER 36 Cb 0.00 -1.04 -0.01 0.00 -1.71 0.00 0.00 66.02 63.26 2q4i s SER 36 CO 0.00 0.30 1.05 -2.16 1.20 0.00 0.00 173.24 173.63 2q4i s PRO 37 N -0.45 3.25 -0.36 5.44 0.04 -1.26 -4.67 135.00 136.99 2q4i s PRO 37 Ca 0.06 0.80 -0.03 0.00 0.04 0.00 0.00 61.00 61.87 2q4i s PRO 37 Cb -0.12 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.46 2q4i s PRO 37 CO 0.02 -0.84 0.11 0.21 0.04 0.00 0.00 177.00 176.54 2q4i s LYS 38 N -5.14 2.28 -0.10 4.56 2.47 -1.18 -5.09 119.74 117.55 2q4i s LYS 38 Ca 0.57 -1.49 -0.22 0.00 -1.56 0.00 0.00 55.97 53.27 2q4i s LYS 38 Cb -0.12 -3.41 -0.04 0.00 -1.46 0.00 0.00 37.83 32.80 2q4i s LYS 38 CO 0.54 -0.83 0.64 0.42 0.16 0.00 0.00 175.35 176.28 2q4i s ILE 39 N 1.23 5.08 -0.71 5.43 1.01 -1.26 -3.69 121.20 128.29 2q4i s ILE 39 Ca 0.01 1.29 -0.04 0.00 0.00 0.00 0.00 60.65 61.91 2q4i s ILE 39 Cb -0.21 -3.97 0.18 0.00 0.01 0.00 0.00 42.46 38.47 2q4i s ILE 39 CO -0.02 0.25 0.56 -0.76 0.00 0.00 0.00 174.94 174.97 2q4i s LEU 40 N 0.93 5.52 -0.72 2.97 1.43 -0.31 -5.01 118.68 123.50 2q4i s LEU 40 Ca 0.33 -3.02 -0.25 0.00 -1.03 0.00 0.00 54.13 50.17 2q4i s LEU 40 Cb -0.17 -1.92 0.05 0.00 0.03 0.00 0.00 46.19 44.19 2q4i s LEU 40 CO 0.15 -0.36 1.14 -0.75 0.23 0.00 0.00 176.35 176.76 2q4i s LYS 41 N -0.31 3.18 -0.05 1.70 2.47 -1.26 -1.43 119.74 124.04 2q4i s LYS 41 Ca 0.19 -0.59 0.09 0.00 -1.56 0.00 0.00 55.97 54.11 2q4i s LYS 41 Cb -0.16 -4.27 -0.14 0.00 -1.46 0.00 0.00 37.83 31.80 2q4i s LYS 41 CO -0.06 -1.99 0.13 0.09 0.16 0.00 0.00 175.35 173.68 2q4i n ASN 42 N 8.52 2.69 -4.56 1.43 3.02 -1.26 -5.05 115.26 120.04 2q4i n ASN 42 Ca 0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.17 2q4i n ASN 42 Cb 0.47 1.11 0.03 0.00 -0.61 0.00 0.00 39.78 40.78 2q4i n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2q4i n ALA 43 N -2.09 -0.29 0.81 5.41 0.00 -1.26 -4.89 120.51 118.19 2q4i n ALA 43 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2q4i n ALA 43 Cb 0.53 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2q4i n ALA 43 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2q4i n PHE 44 N -1.21 0.00 -4.20 0.00 -0.00 -1.26 -4.81 117.46 105.98 2q4i n PHE 44 Ca 0.11 -0.11 -0.15 0.00 -0.00 0.00 0.00 57.45 57.30 2q4i n PHE 44 Cb 0.44 -0.12 -0.11 0.00 -0.00 0.00 0.00 39.48 39.69 2q4i n PHE 44 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2q4i s SER 45 N 0.15 1.60 0.00 5.98 1.04 -1.26 -5.16 113.70 116.04 2q4i s SER 45 Ca 0.00 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.58 2q4i s SER 45 Cb 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2q4i s SER 45 CO 0.00 -0.26 0.62 0.18 0.98 0.00 0.00 173.24 174.76 2q4i n LEU 46 N 0.40 1.80 -4.85 2.42 4.77 -1.26 -4.94 117.00 115.34 2q4i n LEU 46 Ca -0.15 -0.90 -0.36 0.00 -0.03 0.00 0.00 56.01 54.57 2q4i n LEU 46 Cb 0.58 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2q4i n LEU 46 CO 0.28 0.31 0.14 -0.36 -1.33 0.00 0.00 177.39 176.43 2q4i s PHE 48 N 0.04 3.65 0.25 -1.77 0.08 -1.26 -5.16 117.98 113.82 2q4i s PHE 48 Ca 0.00 0.95 -0.21 0.00 0.12 0.00 0.00 56.93 57.80 2q4i s PHE 48 Cb 0.00 -2.27 0.06 0.00 -0.57 0.00 0.00 43.02 40.24 2q4i s PHE 48 CO 0.00 0.54 0.91 0.20 -0.10 0.00 0.00 175.22 176.77 2q4i s GLY 49 N -1.50 0.10 0.09 4.36 0.00 -1.26 -3.78 107.32 105.33 2q4i s GLY 49 Ca 0.31 -0.37 -0.35 0.00 0.00 0.00 0.00 44.72 44.31 2q4i s GLY 49 CO 0.17 0.82 1.54 -0.10 0.00 0.00 0.00 173.10 175.52 2q4i n LEU 50 N -0.58 2.60 0.00 0.66 7.94 -1.26 -1.14 117.00 125.23 2q4i n LEU 50 Ca -0.05 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 2q4i n LEU 50 Cb 0.60 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.22 2q4i n LEU 50 CO 0.21 -0.53 0.00 0.61 -1.11 0.00 0.00 177.39 176.57 2q4i n GLY 51 N 3.25 1.73 3.71 -3.96 0.00 -1.26 -4.53 105.19 104.13 2q4i n GLY 51 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.94 7.32 0.13 1.61 1.01 -0.29 -4.31 116.67 121.20 2q4i s ASP 52 Ca 0.00 1.74 0.07 0.00 0.71 0.00 0.00 52.55 55.08 2q4i s ASP 52 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2q4i s ASP 52 CO 0.00 -0.29 -0.07 -0.76 0.21 0.00 0.00 175.17 174.26 2q4i s LEU 53 N 0.93 3.12 -0.43 1.23 1.43 -0.52 -1.01 118.68 123.43 2q4i s LEU 53 Ca 0.53 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 2q4i s LEU 53 Cb -0.23 -1.86 0.19 0.00 0.03 0.00 0.00 46.19 44.33 2q4i s LEU 53 CO 0.28 0.15 0.48 0.52 0.23 0.00 0.00 176.35 178.01 2q4i n VAL 54 N 0.40 -0.83 -2.10 -1.59 0.31 0.15 -1.16 118.33 113.51 2q4i n VAL 54 Ca -0.12 -3.01 -0.41 0.00 -0.01 0.00 0.00 64.34 60.79 2q4i n VAL 54 Cb 0.53 -1.06 -0.02 0.00 -0.91 0.00 0.00 33.84 32.38 2q4i n VAL 54 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2q4i s PRO 55 N -0.02 4.35 0.18 5.55 0.02 -1.24 0.44 135.00 144.27 2q4i s PRO 55 Ca 0.33 2.23 -0.11 0.00 0.02 0.00 0.00 61.00 63.46 2q4i s PRO 55 Cb 0.07 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.52 2q4i s PRO 55 CO -0.16 -0.20 0.36 -0.59 -0.33 0.00 0.00 177.00 176.07 2q4i s PHE 56 N -1.09 0.25 -0.30 6.54 -0.12 0.75 -3.08 117.98 120.93 2q4i s PHE 56 Ca 0.49 -0.61 -0.10 0.00 -0.05 0.00 0.00 56.93 56.67 2q4i s PHE 56 Cb -0.40 0.08 0.13 0.00 -0.63 0.00 0.00 43.02 42.20 2q4i s PHE 56 CO 0.53 -0.78 0.67 -0.08 -0.05 0.00 0.00 175.22 175.50 2q4i s THR 57 N -3.94 -0.97 0.47 -4.49 -1.32 -1.26 -1.40 115.64 102.72 2q4i s THR 57 Ca 0.15 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.68 2q4i s THR 57 Cb 0.02 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.98 2q4i s THR 57 CO -0.01 0.00 0.14 0.20 -2.21 0.00 0.00 174.62 172.75 2q4i s ASN 58 N 2.88 4.28 0.42 8.08 0.01 -1.10 -4.72 114.94 124.78 2q4i s ASN 58 Ca -0.04 -1.33 -0.10 0.00 -0.71 0.00 0.00 52.86 50.67 2q4i s ASN 58 Cb -0.12 0.00 -0.06 0.00 0.41 0.00 0.00 41.25 41.48 2q4i s ASN 58 CO -0.19 -0.73 0.78 -0.54 -1.51 0.00 0.00 177.10 174.91 2q4i s LYS 59 N -3.94 3.75 -0.08 -0.60 1.02 -0.35 -0.78 119.74 118.77 2q4i s LYS 59 Ca 0.28 0.46 0.02 0.00 0.02 0.00 0.00 55.97 56.75 2q4i s LYS 59 Cb 0.03 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 2q4i s LYS 59 CO 0.16 -0.07 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.20 2q4i s LEU 60 N -3.97 1.72 0.15 3.17 2.96 0.01 -0.52 118.68 122.21 2q4i s LEU 60 Ca 0.51 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 54.14 2q4i s LEU 60 Cb -0.10 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 2q4i s LEU 60 CO 0.33 0.05 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.93 2q4i s TYR 61 N 0.66 1.73 0.92 5.38 2.02 0.57 0.44 117.35 129.07 2q4i s TYR 61 Ca -0.14 -0.48 -0.10 0.00 -0.37 0.00 0.00 57.07 55.97 2q4i s TYR 61 Cb -0.16 -0.88 0.15 0.00 -0.40 0.00 0.00 41.96 40.67 2q4i s TYR 61 CO 0.04 0.28 1.14 0.95 -1.57 0.00 0.00 175.55 176.39 2q4i s THR 62 N -2.00 2.14 0.52 -0.71 -4.23 0.99 -0.63 115.64 111.73 2q4i s THR 62 Ca 0.14 0.05 0.17 0.00 -1.18 0.00 0.00 61.69 60.86 2q4i s THR 62 Cb -0.06 -2.10 0.28 0.00 1.34 0.00 0.00 72.50 71.96 2q4i s THR 62 CO 0.06 -0.06 2.14 1.23 -0.54 0.00 0.00 174.62 177.45 2q4i h GLY 63 N -1.86 0.00 -0.03 3.99 0.00 -0.58 0.75 103.07 105.34 2q4i h GLY 63 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2q4i h GLY 63 CO 0.43 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.06 2q4i n ASP 64 N -4.51 0.63 0.00 0.19 5.68 -1.26 -1.81 116.55 115.46 2q4i n ASP 64 Ca -0.02 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 2q4i n ASP 64 Cb 0.12 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2q4i n ASP 64 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2q4i n LEU 65 N -0.33 0.93 0.17 -2.12 4.77 0.26 -4.73 117.00 115.95 2q4i n LEU 65 Ca 0.13 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.21 2q4i n LEU 65 Cb 0.15 -2.20 0.10 0.00 -2.33 0.00 0.00 43.42 39.14 2q4i n LEU 65 CO 0.10 -0.86 0.53 0.11 -1.33 0.00 0.00 177.39 175.95 2q4i h LYS 66 N 0.09 0.00 -4.09 3.23 1.57 -1.91 -1.82 116.57 113.64 2q4i h LYS 66 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 2q4i h LYS 66 Cb 0.78 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.81 2q4i h LYS 66 CO 0.00 0.10 -0.74 0.15 -0.57 0.00 0.00 179.45 178.39 2q4i s LYS 67 N -3.19 0.27 -0.18 3.15 1.02 -1.26 -4.44 119.74 115.11 2q4i s LYS 67 Ca 0.04 -0.15 -0.29 0.00 0.02 0.00 0.00 55.97 55.60 2q4i s LYS 67 Cb 0.07 -0.24 -0.00 0.00 -0.52 0.00 0.00 37.83 37.14 2q4i s LYS 67 CO 0.71 0.06 1.00 0.50 -0.92 0.00 0.00 175.35 176.71 2q4i s ARG 68 N -0.16 4.33 -0.17 1.68 6.06 -0.10 -0.01 118.95 130.58 2q4i s ARG 68 Ca 0.00 1.33 0.14 0.00 -2.50 0.00 0.00 55.73 54.70 2q4i s ARG 68 Cb -0.02 -3.60 -0.20 0.00 0.06 0.00 0.00 34.95 31.20 2q4i s ARG 68 CO -0.00 -0.47 0.04 1.33 -2.50 0.00 0.00 175.30 173.70 2q4i n VAL 69 N 4.96 1.14 0.00 7.11 0.24 0.17 -1.80 118.33 130.15 2q4i n VAL 69 Ca 0.10 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2q4i n VAL 69 Cb 0.47 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 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 2.01 -0.50 3.30 7.63 0.00 -0.86 0.19 105.19 116.96 2q4i n GLY 70 Ca -0.28 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.09 0.17 -0.61 -4.36 -1.02 -0.81 121.20 114.65 2q4i s ILE 71 Ca 0.00 -0.82 0.01 0.00 -0.26 0.00 0.00 60.65 59.58 2q4i s ILE 71 Cb 0.00 -1.30 -0.04 0.00 1.25 0.00 0.00 42.46 42.38 2q4i s ILE 71 CO 0.00 -0.39 0.32 0.42 0.24 0.00 0.00 174.94 175.53 2q4i s THR 72 N -3.84 5.28 -0.21 8.37 -4.23 0.04 -0.31 115.64 120.73 2q4i s THR 72 Ca 0.05 -0.54 -0.11 0.00 -1.18 0.00 0.00 61.69 59.90 2q4i s THR 72 Cb 0.03 -3.73 0.07 0.00 1.34 0.00 0.00 72.50 70.20 2q4i s THR 72 CO -0.10 -0.11 0.51 0.00 -0.54 0.00 0.00 174.62 174.38 2q4i s ALA 73 N -1.78 -1.37 0.00 3.99 0.00 0.13 -2.73 121.76 120.00 2q4i s ALA 73 Ca 0.36 1.86 0.00 0.00 0.00 0.00 0.00 51.96 54.18 2q4i s ALA 73 Cb -0.11 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.85 2q4i s ALA 73 CO 0.29 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2q4i n GLY 74 N 4.42 -0.62 2.94 0.00 0.00 -0.49 -1.37 105.19 110.07 2q4i n GLY 74 Ca -0.21 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 1.58 -0.17 0.99 2.96 -0.92 -0.18 118.68 122.94 2q4i s LEU 75 Ca 0.00 0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 2q4i s LEU 75 Cb 0.00 0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.91 2q4i s LEU 75 CO 0.00 -0.04 0.04 0.00 -1.32 0.00 0.00 176.35 175.03 2q4i s VAL 77 N 0.32 3.48 0.20 0.00 1.01 0.26 0.30 120.40 125.98 2q4i s VAL 77 Ca 0.02 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 2q4i s VAL 77 Cb -0.13 -2.58 -0.08 0.00 0.00 0.00 0.00 36.38 33.59 2q4i s VAL 77 CO 0.01 0.43 1.22 -0.69 0.00 0.00 0.00 175.10 176.07 2q4i s VAL 78 N 1.29 3.43 -0.18 2.92 1.01 -0.18 0.42 120.40 129.11 2q4i s VAL 78 Ca 0.04 1.23 -0.00 0.00 0.00 0.00 0.00 61.98 63.24 2q4i s VAL 78 Cb -0.14 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.34 2q4i s VAL 78 CO -0.01 0.21 -0.17 -0.38 0.00 0.00 0.00 175.10 174.75 2q4i n ILE 79 N 2.32 1.01 -3.69 2.22 2.08 -0.90 -4.04 119.36 118.36 2q4i n ILE 79 Ca 0.04 -0.36 -0.04 0.00 0.56 0.00 0.00 62.75 62.95 2q4i n ILE 79 Cb 0.44 -1.22 -0.01 0.00 -0.75 0.00 0.00 39.64 38.09 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 -2.35 0.99 0.05 0.38 -1.05 -1.24 -4.08 118.70 111.40 2q4i s GLU 80 Ca -0.24 -0.52 -0.03 0.00 -0.15 0.00 0.00 54.97 54.03 2q4i s GLU 80 Cb 0.07 0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 34.07 2q4i s GLU 80 CO 0.39 -0.45 0.26 -1.58 0.95 0.00 0.00 175.26 174.83 2q4i s HIS 81 N -3.11 3.53 -0.58 4.83 5.65 -1.25 -1.92 115.29 122.44 2q4i s HIS 81 Ca 0.11 0.42 0.06 0.00 0.25 0.00 0.00 55.06 55.90 2q4i s HIS 81 Cb -0.00 -1.89 0.20 0.00 -1.18 0.00 0.00 32.58 29.71 2q4i s HIS 81 CO -0.01 0.57 0.54 0.28 -0.65 0.00 0.00 174.74 175.48 2q4i n VAL 82 N 0.60 0.92 -0.20 0.89 0.31 -0.14 -4.88 118.33 115.82 2q4i n VAL 82 Ca -0.07 -4.55 0.27 0.00 -0.01 0.00 0.00 64.34 59.97 2q4i n VAL 82 Cb 0.52 -2.02 0.68 0.00 -0.91 0.00 0.00 33.84 32.10 2q4i n VAL 82 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2q4i h PRO 83 N 4.88 0.09 0.00 5.55 0.13 -1.97 0.75 132.00 141.43 2q4i h PRO 83 Ca 0.18 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 2q4i h PRO 83 Cb 0.78 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 2q4i h PRO 83 CO 0.64 0.06 -0.04 0.93 -0.23 0.00 0.00 178.00 179.37 2q4i h GLU 84 N 0.09 0.00 -0.16 0.86 3.07 -1.94 -1.40 114.58 115.11 2q4i h GLU 84 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 2q4i h GLU 84 Cb 1.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 2q4i h GLU 84 CO -0.05 0.04 0.00 1.63 -1.40 0.00 0.00 179.01 179.22 2q4i n LYS 85 N -3.27 1.60 -4.01 2.33 4.76 0.23 -4.95 118.16 114.84 2q4i n LYS 85 Ca -0.02 -1.53 -0.31 0.00 -2.87 0.00 0.00 58.31 53.58 2q4i n LYS 85 Cb 0.19 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 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 0.49 -4.36 -1.25 1.97 5.02 -0.53 -4.83 118.16 114.67 2q4i n LYS 86 Ca 0.08 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2q4i n LYS 86 Cb 0.33 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 2q4i n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q4i n GLY 87 N -1.62 3.06 3.18 0.72 0.00 -1.11 -4.95 105.19 104.47 2q4i n GLY 87 Ca -0.02 -1.27 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 2q4i n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2q4i s GLU 88 N -1.59 0.78 0.02 1.61 1.03 -1.26 -0.97 118.70 118.33 2q4i s GLU 88 Ca 0.00 -1.00 -0.05 0.00 0.03 0.00 0.00 54.97 53.95 2q4i s GLU 88 Cb 0.00 0.31 -0.05 0.00 -0.80 0.00 0.00 34.13 33.59 2q4i s GLU 88 CO 0.00 -0.23 0.26 0.50 -1.33 0.00 0.00 175.26 174.46 2q4i s ARG 89 N -3.79 3.55 0.25 -4.83 3.52 -0.81 -0.68 118.95 116.15 2q4i s ARG 89 Ca 0.05 -0.15 0.08 0.00 -0.13 0.00 0.00 55.73 55.58 2q4i s ARG 89 Cb 0.05 -3.05 -0.05 0.00 -1.56 0.00 0.00 34.95 30.34 2q4i s ARG 89 CO -0.10 0.63 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.84 2q4i s PHE 90 N -1.36 1.92 -0.15 5.12 0.08 0.84 -2.11 117.98 122.33 2q4i s PHE 90 Ca 0.29 -0.58 0.01 0.00 0.12 0.00 0.00 56.93 56.78 2q4i s PHE 90 Cb -0.13 -0.97 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 2q4i s PHE 90 CO 0.18 0.39 -0.18 -2.00 -0.10 0.00 0.00 175.22 173.52 2q4i s GLU 91 N -3.65 2.62 0.08 0.44 2.56 0.17 -3.02 118.70 117.90 2q4i s GLU 91 Ca 0.27 -0.69 0.10 0.00 0.00 0.00 0.00 54.97 54.64 2q4i s GLU 91 Cb 0.00 -2.26 -0.03 0.00 2.00 0.00 0.00 34.13 33.84 2q4i s GLU 91 CO 0.10 -0.15 -0.25 0.00 -0.56 0.00 0.00 175.26 174.40 2q4i s ALA 92 N 1.20 2.18 -0.12 6.30 0.00 -0.70 0.93 121.76 131.53 2q4i s ALA 92 Ca 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 51.96 50.61 2q4i s ALA 92 Cb -0.14 -0.39 0.06 0.00 0.00 0.00 0.00 23.12 22.65 2q4i s ALA 92 CO -0.08 0.49 0.14 0.99 0.00 0.00 0.00 175.76 177.31 2q4i s THR 93 N -0.95 -0.21 0.07 0.00 2.01 -1.06 -1.65 115.64 113.85 2q4i s THR 93 Ca 0.11 0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.99 2q4i s THR 93 Cb -0.10 -0.42 0.08 0.00 0.01 0.00 0.00 72.50 72.08 2q4i s THR 93 CO 0.04 -0.02 0.95 -0.72 -0.69 0.00 0.00 174.62 174.18 2q4i s TYR 94 N 2.24 -0.22 0.27 4.92 -0.85 -0.87 -2.17 117.35 120.68 2q4i s TYR 94 Ca 0.04 -0.00 0.09 0.00 -0.52 0.00 0.00 57.07 56.68 2q4i s TYR 94 Cb -0.14 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 42.74 2q4i s TYR 94 CO -0.07 -0.66 -0.14 -1.12 -1.52 0.00 0.00 175.55 172.04 2q4i s SER 95 N -2.73 3.20 -0.18 -0.18 0.01 -0.47 0.24 113.70 113.59 2q4i s SER 95 Ca 0.09 -1.09 0.01 0.00 1.31 0.00 0.00 55.95 56.27 2q4i s SER 95 Cb -0.01 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 66.00 2q4i s SER 95 CO -0.03 -0.13 -0.19 -0.36 0.41 0.00 0.00 173.24 172.93 2q4i s PHE 96 N -2.74 2.79 -0.24 2.43 2.99 0.26 -0.69 117.98 122.77 2q4i s PHE 96 Ca 0.28 -1.63 -0.08 0.00 0.00 0.00 0.00 56.93 55.50 2q4i s PHE 96 Cb -0.01 -1.93 -0.04 0.00 0.00 0.00 0.00 43.02 41.05 2q4i s PHE 96 CO 0.13 -0.80 0.09 0.71 -0.00 0.00 0.00 175.22 175.35 2q4i s TYR 97 N 1.29 3.14 -0.50 0.36 2.02 0.57 -1.55 117.35 122.68 2q4i s TYR 97 Ca 0.05 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.55 2q4i s TYR 97 Cb -0.13 -2.24 0.49 0.00 -0.40 0.00 0.00 41.96 39.68 2q4i s TYR 97 CO -0.13 -0.22 1.75 1.19 -1.57 0.00 0.00 175.55 176.57 2q4i n PHE 98 N 4.69 2.83 -4.78 2.71 3.72 0.29 -2.44 117.46 124.47 2q4i n PHE 98 Ca -0.16 -2.51 0.00 0.00 -0.05 0.00 0.00 57.45 54.74 2q4i n PHE 98 Cb 0.52 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.05 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 -0.93 -0.33 0.21 1.37 0.00 -1.15 -2.85 105.19 101.51 2q4i n GLY 99 Ca 0.54 -1.01 0.05 0.00 0.00 0.00 0.00 46.02 45.61 2q4i n GLY 99 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2q4i h ASP 100 N 0.00 0.00 -0.26 1.61 3.58 -1.74 0.44 116.42 120.05 2q4i h ASP 100 Ca 0.00 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.46 2q4i h ASP 100 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2q4i h ASP 100 CO 0.00 0.00 0.14 1.88 -2.88 0.00 0.00 179.24 178.38 2q4i h TYR 101 N 0.00 0.26 0.00 0.28 0.05 -1.86 -3.47 116.97 112.23 2q4i h TYR 101 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2q4i h TYR 101 Cb 1.05 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.71 2q4i h TYR 101 CO 0.00 0.15 0.00 0.41 -1.05 0.00 0.00 178.16 177.67 2q4i n GLY 102 N -1.17 0.71 3.31 3.88 0.00 0.15 -2.40 105.19 109.67 2q4i n GLY 102 Ca -0.02 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.32 0.39 0.09 1.61 -3.43 -1.21 0.10 115.29 109.53 2q4i s HIS 103 Ca 0.00 -0.77 0.09 0.00 -0.80 0.00 0.00 55.06 53.59 2q4i s HIS 103 Cb 0.00 -0.08 -0.03 0.00 -1.43 0.00 0.00 32.58 31.04 2q4i s HIS 103 CO 0.00 -0.69 -0.25 -0.51 -2.00 0.00 0.00 174.74 171.29 2q4i s LEU 104 N -2.96 2.26 0.15 5.38 1.43 -0.59 -1.16 118.68 123.18 2q4i s LEU 104 Ca 0.16 -0.67 0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2q4i s LEU 104 Cb 0.04 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2q4i s LEU 104 CO -0.01 0.17 -0.26 -0.44 0.23 0.00 0.00 176.35 176.04 2q4i s SER 105 N -1.71 3.30 0.10 2.29 0.01 -0.17 -0.57 113.70 116.95 2q4i s SER 105 Ca 0.11 -0.79 -0.02 0.00 1.31 0.00 0.00 55.95 56.56 2q4i s SER 105 Cb -0.10 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.87 2q4i s SER 105 CO 0.04 0.15 0.05 0.68 0.41 0.00 0.00 173.24 174.57 2q4i s VAL 106 N -1.28 0.15 -0.14 3.43 -7.23 0.14 -1.14 120.40 114.34 2q4i s VAL 106 Ca 0.16 -1.77 -0.10 0.00 -1.81 0.00 0.00 61.98 58.46 2q4i s VAL 106 Cb -0.09 -1.75 0.05 0.00 0.56 0.00 0.00 36.38 35.14 2q4i s VAL 106 CO 0.07 -0.69 0.35 -1.58 -0.31 0.00 0.00 175.10 172.94 2q4i s GLN 107 N -3.97 0.37 0.00 4.82 2.00 -0.52 -2.05 119.66 120.30 2q4i s GLN 107 Ca 0.15 0.60 0.00 0.00 -2.00 0.00 0.00 55.36 54.11 2q4i s GLN 107 Cb 0.07 0.06 0.00 0.00 0.80 0.00 0.00 33.01 33.94 2q4i s GLN 107 CO -0.04 -0.11 0.00 0.41 -0.50 0.00 0.00 175.29 175.05 2q4i n GLY 108 N 3.62 -0.33 3.75 2.59 0.00 -0.66 -0.25 105.19 113.92 2q4i n GLY 108 Ca -0.19 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 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 4.47 -0.18 1.61 0.04 -1.26 -1.73 135.00 135.95 2q4i s PRO 109 Ca 0.00 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.07 2q4i s PRO 109 Cb 0.00 -3.34 0.04 0.00 0.04 0.00 0.00 34.50 31.23 2q4i s PRO 109 CO 0.00 0.34 -0.11 -0.47 0.04 0.00 0.00 177.00 176.80 2q4i s TYR 110 N -0.24 2.32 -0.17 0.56 5.04 -1.17 -4.62 117.35 119.07 2q4i s TYR 110 Ca 0.37 -1.47 -0.00 0.00 -2.44 0.00 0.00 57.07 53.52 2q4i s TYR 110 Cb -0.20 -1.61 0.00 0.00 0.35 0.00 0.00 41.96 40.50 2q4i s TYR 110 CO 0.22 -0.72 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.06 2q4i s LEU 111 N 1.43 2.48 0.00 6.97 1.43 -1.26 -0.11 118.68 129.62 2q4i s LEU 111 Ca 0.00 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2q4i s LEU 111 Cb -0.15 -1.58 0.17 0.00 0.03 0.00 0.00 46.19 44.66 2q4i s LEU 111 CO -0.09 0.05 0.49 0.35 0.23 0.00 0.00 176.35 177.39 2q4i n THR 112 N 4.26 0.00 -0.39 5.49 -2.24 0.14 -2.84 114.28 118.70 2q4i n THR 112 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2q4i n THR 112 Cb 0.51 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2q4i n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q4i n TYR 113 N -0.66 0.00 -3.61 4.78 0.18 -1.26 -4.83 117.16 111.76 2q4i n TYR 113 Ca 0.02 -0.28 -0.02 0.00 1.88 0.00 0.00 57.90 59.51 2q4i n TYR 113 Cb 0.01 -0.03 -0.01 0.00 -0.38 0.00 0.00 39.34 38.93 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 -0.55 0.26 0.92 -3.48 -1.05 -1.13 -5.13 118.70 108.54 2q4i s GLU 114 Ca 0.00 -0.12 -0.11 0.00 -0.15 0.00 0.00 54.97 54.60 2q4i s GLU 114 Cb 0.00 0.11 0.15 0.00 -0.44 0.00 0.00 34.13 33.94 2q4i s GLU 114 CO 0.00 -0.12 1.11 -0.51 0.95 0.00 0.00 175.26 176.70 2q4i s ASP 115 N -2.44 2.99 0.23 0.83 1.01 -1.26 -4.46 116.67 113.58 2q4i s ASP 115 Ca 0.12 1.97 -0.15 0.00 0.71 0.00 0.00 52.55 55.19 2q4i s ASP 115 Cb 0.01 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.46 2q4i s ASP 115 CO -0.04 -3.02 0.51 -0.94 0.21 0.00 0.00 175.17 171.89 2q4i s SER 116 N -2.85 -0.15 -0.03 0.27 1.04 -1.01 -4.94 113.70 106.03 2q4i s SER 116 Ca 0.66 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 56.39 2q4i s SER 116 Cb -0.22 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 2q4i s SER 116 CO 0.58 -1.13 -0.20 -0.36 0.98 0.00 0.00 173.24 173.12 2q4i s PHE 117 N -3.96 1.84 0.35 5.02 0.08 -1.26 -1.71 117.98 118.34 2q4i s PHE 117 Ca 0.16 -0.42 0.09 0.00 0.12 0.00 0.00 56.93 56.88 2q4i s PHE 117 Cb -0.01 -1.20 -0.06 0.00 -0.57 0.00 0.00 43.02 41.18 2q4i s PHE 117 CO 0.05 -0.09 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.54 2q4i s LEU 118 N -0.30 2.87 0.27 -0.37 1.02 -1.13 -4.29 118.68 116.76 2q4i s LEU 118 Ca 0.03 -1.11 -0.18 0.00 0.02 0.00 0.00 54.13 52.89 2q4i s LEU 118 Cb -0.09 -1.17 -0.09 0.00 0.02 0.00 0.00 46.19 44.86 2q4i s LEU 118 CO 0.00 -0.25 0.75 0.00 0.02 0.00 0.00 176.35 176.87 2q4i s ALA 119 N -2.57 3.36 -0.44 4.21 0.00 0.66 -2.57 121.76 124.39 2q4i s ALA 119 Ca 0.34 0.14 -0.19 0.00 0.00 0.00 0.00 51.96 52.26 2q4i s ALA 119 Cb 0.02 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.34 2q4i s ALA 119 CO 0.18 0.32 0.54 0.42 0.00 0.00 0.00 175.76 177.21 2q4i s ILE 120 N -1.72 4.97 -0.40 0.00 1.01 -0.32 -1.43 121.20 123.29 2q4i s ILE 120 Ca 0.48 -0.22 0.23 0.00 0.00 0.00 0.00 60.65 61.14 2q4i s ILE 120 Cb -0.14 -4.14 0.20 0.00 0.01 0.00 0.00 42.46 38.39 2q4i s ILE 120 CO 0.19 -0.55 1.40 0.71 0.00 0.00 0.00 174.94 176.70 2q4i h THR 121 N 5.80 0.00 0.00 2.92 1.35 -1.42 -3.34 112.91 118.22 2q4i h THR 121 Ca -0.26 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 2q4i h THR 121 Cb 1.10 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2q4i h THR 121 CO 0.86 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.74 2q4i n GLY 122 N 1.16 -1.40 3.86 5.82 0.00 -1.24 -4.97 105.19 108.42 2q4i n GLY 122 Ca 0.03 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.79 2q4i n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2q4i s GLY 123 N 0.00 0.25 0.24 -0.02 0.00 -1.25 -1.00 107.32 105.54 2q4i s GLY 123 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 2q4i s GLY 123 CO 0.00 1.54 0.23 0.00 0.00 0.00 0.00 173.10 174.87 2q4i s ALA 124 N -2.10 1.01 0.00 3.20 0.00 -0.31 -4.04 121.76 119.52 2q4i s ALA 124 Ca 0.20 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.55 2q4i s ALA 124 Cb -0.04 1.34 0.00 0.00 0.00 0.00 0.00 23.12 24.42 2q4i s ALA 124 CO 0.08 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2q4i n GLY 125 N -0.36 2.24 0.14 0.00 0.00 -1.26 -1.25 105.19 104.71 2q4i n GLY 125 Ca 0.02 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 0.91 0.92 -0.61 -5.35 -1.01 -1.85 119.36 112.37 2q4i n ILE 126 Ca 0.00 0.42 0.10 0.00 -0.27 0.00 0.00 62.75 63.01 2q4i n ILE 126 Cb 0.00 -1.38 0.30 0.00 -1.74 0.00 0.00 39.64 36.82 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 -2.26 0.34 -1.70 4.28 3.72 -0.38 -4.56 117.46 116.91 2q4i n PHE 127 Ca 0.01 -0.17 -0.43 0.00 -0.05 0.00 0.00 57.45 56.81 2q4i n PHE 127 Cb 0.16 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.67 2.17 -0.08 -1.08 0.00 -0.77 -1.55 120.64 120.00 2q4i n GLU 128 Ca 0.17 0.76 0.00 0.00 0.00 0.00 0.00 57.16 58.09 2q4i n GLU 128 Cb 0.40 -2.39 0.00 0.00 0.00 0.00 0.00 31.44 29.45 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 1.29 0.72 3.75 8.31 0.00 -1.26 -4.38 105.19 113.63 2q4i n GLY 129 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2q4i n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q4i s ALA 130 N -2.33 3.68 0.16 4.61 0.00 -0.60 -4.12 121.76 123.16 2q4i s ALA 130 Ca 0.00 1.51 -0.10 0.00 0.00 0.00 0.00 51.96 53.36 2q4i s ALA 130 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 2q4i s ALA 130 CO 0.00 -0.93 0.31 1.52 0.00 0.00 0.00 175.76 176.66 2q4i s TYR 131 N -0.23 0.26 -2.14 0.00 -0.85 -0.43 -3.76 117.35 110.20 2q4i s TYR 131 Ca 0.60 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 56.52 2q4i s TYR 131 Cb -0.46 0.02 0.00 0.00 0.38 0.00 0.00 41.96 41.90 2q4i s TYR 131 CO 0.50 -0.72 0.00 0.41 -1.52 0.00 0.00 175.55 174.21 2q4i n GLY 132 N -0.21 0.62 3.37 5.49 0.00 -1.25 -2.03 105.19 111.17 2q4i n GLY 132 Ca -0.09 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.86 1.46 -0.01 1.61 -2.07 -1.25 -1.18 119.66 117.36 2q4i s GLN 133 Ca 0.00 -1.78 0.02 0.00 -1.82 0.00 0.00 55.36 51.77 2q4i s GLN 133 Cb 0.00 -0.60 0.00 0.00 -1.09 0.00 0.00 33.01 31.33 2q4i s GLN 133 CO 0.00 -0.18 -0.05 0.54 -1.32 0.00 0.00 175.29 174.28 2q4i s VAL 134 N -3.48 0.43 -0.14 3.63 0.11 -1.06 0.55 120.40 120.45 2q4i s VAL 134 Ca 0.34 -0.19 -0.17 0.00 -2.93 0.00 0.00 61.98 59.03 2q4i s VAL 134 Cb 0.07 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2q4i s VAL 134 CO 0.12 0.14 0.44 -0.75 -3.33 0.00 0.00 175.10 171.73 2q4i s LYS 135 N 0.15 4.30 -0.22 1.54 2.20 0.33 -2.84 119.74 125.21 2q4i s LYS 135 Ca -0.01 0.37 -0.05 0.00 -0.36 0.00 0.00 55.97 55.92 2q4i s LYS 135 Cb -0.05 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 2q4i s LYS 135 CO -0.00 0.13 -0.01 -1.17 -0.36 0.00 0.00 175.35 173.94 2q4i s LEU 136 N 0.72 3.11 -0.21 5.43 0.20 -0.69 -2.20 118.68 125.04 2q4i s LEU 136 Ca 0.24 -0.30 -0.04 0.00 0.69 0.00 0.00 54.13 54.72 2q4i s LEU 136 Cb -0.15 -1.80 -0.01 0.00 -0.43 0.00 0.00 46.19 43.80 2q4i s LEU 136 CO 0.09 0.00 -0.04 -1.10 -0.29 0.00 0.00 176.35 175.02 2q4i s GLN 137 N 1.36 3.44 -0.50 1.98 -0.21 -0.79 -2.39 119.66 122.55 2q4i s GLN 137 Ca 0.04 -0.60 -0.24 0.00 0.02 0.00 0.00 55.36 54.58 2q4i s GLN 137 Cb -0.15 -3.00 0.04 0.00 1.00 0.00 0.00 33.01 30.90 2q4i s GLN 137 CO -0.00 -0.11 0.88 -1.14 -2.12 0.00 0.00 175.29 172.80 2q4i s GLN 138 N 1.27 3.38 0.00 2.91 2.00 -1.26 -2.20 119.66 125.76 2q4i s GLN 138 Ca 0.03 -0.16 0.00 0.00 -2.00 0.00 0.00 55.36 53.23 2q4i s GLN 138 Cb -0.14 -4.00 0.00 0.00 0.80 0.00 0.00 33.01 29.67 2q4i s GLN 138 CO -0.01 -1.32 0.02 1.28 -0.50 0.00 0.00 175.29 174.76 2q4i n LEU 139 N 7.14 1.24 -3.81 3.68 4.77 -1.11 -4.82 117.00 124.10 2q4i n LEU 139 Ca 0.02 0.30 -0.27 0.00 -0.03 0.00 0.00 56.01 56.04 2q4i n LEU 139 Cb 0.48 -0.29 -0.17 0.00 -2.33 0.00 0.00 43.42 41.11 2q4i n LEU 139 CO 0.62 -0.29 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.31 2q4i s VAL 140 N -0.62 0.74 0.08 4.08 1.01 -1.10 -4.79 120.40 119.81 2q4i s VAL 140 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 2q4i s VAL 140 Cb 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 2q4i s VAL 140 CO 0.00 0.01 1.53 -0.47 0.00 0.00 0.00 175.10 176.17 2q4i s TYR 141 N 1.78 2.80 -0.26 5.22 5.04 -1.26 -1.87 117.35 128.81 2q4i s TYR 141 Ca 0.01 0.61 0.14 0.00 -2.44 0.00 0.00 57.07 55.39 2q4i s TYR 141 Cb -0.16 -3.84 0.35 0.00 0.35 0.00 0.00 41.96 38.67 2q4i s TYR 141 CO -0.07 -3.19 1.26 -0.35 -1.34 0.00 0.00 175.55 171.85 2q4i n PRO 142 N 4.91 2.41 0.00 4.97 -0.04 -1.26 -4.96 135.00 141.03 2q4i n PRO 142 Ca 0.14 -2.47 0.12 0.00 -0.04 0.00 0.00 63.50 61.25 2q4i n PRO 142 Cb 0.41 -1.54 0.18 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.65 0.00 -3.63 0.52 -2.24 -0.78 -4.45 114.28 103.06 2q4i n THR 143 Ca 0.15 -0.38 -0.06 0.00 -2.27 0.00 0.00 64.05 61.49 2q4i n THR 143 Cb 0.66 1.20 -0.08 0.00 -2.10 0.00 0.00 70.33 70.01 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 -2.12 0.41 0.06 -0.78 1.02 -1.00 -2.50 119.74 114.83 2q4i s LYS 144 Ca 0.28 1.15 0.04 0.00 0.02 0.00 0.00 55.97 57.46 2q4i s LYS 144 Cb 0.20 0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 37.96 2q4i s LYS 144 CO 0.37 -0.26 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.91 2q4i s LEU 145 N 2.71 2.26 -0.00 3.17 1.02 -0.26 -2.71 118.68 124.86 2q4i s LEU 145 Ca -0.02 -0.59 0.08 0.00 0.02 0.00 0.00 54.13 53.62 2q4i s LEU 145 Cb -0.12 -0.45 -0.02 0.00 0.02 0.00 0.00 46.19 45.62 2q4i s LEU 145 CO -0.15 -0.09 -0.24 0.12 0.02 0.00 0.00 176.35 176.01 2q4i s PHE 146 N -1.26 2.40 0.01 0.29 5.36 -0.94 -1.25 117.98 122.61 2q4i s PHE 146 Ca -0.03 -0.38 0.03 0.00 -0.96 0.00 0.00 56.93 55.59 2q4i s PHE 146 Cb -0.10 -1.48 -0.01 0.00 -0.34 0.00 0.00 43.02 41.08 2q4i s PHE 146 CO 0.02 0.07 -0.10 0.71 -1.46 0.00 0.00 175.22 174.45 2q4i s TYR 147 N -0.71 0.93 -0.19 10.12 2.02 0.25 -1.88 117.35 127.88 2q4i s TYR 147 Ca 0.11 -0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 56.52 2q4i s TYR 147 Cb -0.10 -0.57 0.06 0.00 -0.40 0.00 0.00 41.96 40.95 2q4i s TYR 147 CO 0.01 -0.01 0.06 0.99 -1.57 0.00 0.00 175.55 175.03 2q4i s THR 148 N -0.55 0.26 -0.13 -0.71 2.01 -0.93 -0.88 115.64 114.71 2q4i s THR 148 Ca 0.01 -0.42 -0.23 0.00 0.31 0.00 0.00 61.69 61.36 2q4i s THR 148 Cb -0.06 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2q4i s THR 148 CO 0.00 -0.27 0.72 -0.36 -0.69 0.00 0.00 174.62 174.02 2q4i s PHE 149 N 1.98 3.49 -0.98 4.92 0.08 0.70 -0.51 117.98 127.65 2q4i s PHE 149 Ca 0.01 1.18 -0.17 0.00 0.12 0.00 0.00 56.93 58.06 2q4i s PHE 149 Cb -0.17 -2.86 0.15 0.00 -0.57 0.00 0.00 43.02 39.57 2q4i s PHE 149 CO -0.10 -0.06 1.15 0.71 -0.10 0.00 0.00 175.22 176.82 2q4i s TYR 150 N 1.43 3.28 0.22 0.36 2.02 0.19 -2.50 117.35 122.35 2q4i s TYR 150 Ca 0.36 -1.62 -0.30 0.00 -0.37 0.00 0.00 57.07 55.13 2q4i s TYR 150 Cb -0.17 -4.23 -0.08 0.00 -0.40 0.00 0.00 41.96 37.07 2q4i s TYR 150 CO 0.15 -1.41 1.01 -0.51 -1.57 0.00 0.00 175.55 173.22 2q4i s LEU 151 N 2.14 4.58 0.15 -1.29 1.43 0.30 -3.90 118.68 122.09 2q4i s LEU 151 Ca 0.33 2.04 -0.00 0.00 -1.03 0.00 0.00 54.13 55.46 2q4i s LEU 151 Cb -0.05 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 2q4i s LEU 151 CO -0.08 -0.01 0.06 -0.54 0.23 0.00 0.00 176.35 176.01 2q4i s LYS 152 N -0.96 1.01 0.00 1.70 1.02 -0.86 -0.76 119.74 120.89 2q4i s LYS 152 Ca 0.44 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.94 2q4i s LYS 152 Cb -0.28 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.17 2q4i s LYS 152 CO 0.35 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 2q4i n GLY 153 N -0.15 1.54 3.76 -3.33 0.00 -1.26 -1.31 105.19 104.43 2q4i n GLY 153 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2q4i n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4i s LEU 154 N 0.00 4.51 -0.00 0.99 1.02 -1.26 -4.29 118.68 119.65 2q4i s LEU 154 Ca 0.00 2.36 0.06 0.00 0.02 0.00 0.00 54.13 56.57 2q4i s LEU 154 Cb 0.00 -3.63 0.18 0.00 0.02 0.00 0.00 46.19 42.76 2q4i s LEU 154 CO 0.00 -0.26 1.14 0.00 0.02 0.00 0.00 176.35 177.25 2q4i n ALA 155 N 1.26 2.48 -3.54 4.21 0.00 -1.26 -4.88 120.51 118.78 2q4i n ALA 155 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.01 2q4i n ALA 155 Cb 0.44 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.98 -0.31 0.43 0.00 0.02 -1.26 -5.15 114.94 107.69 2q4i s ASN 156 Ca 0.13 0.09 -0.25 0.00 -1.02 0.00 0.00 52.86 51.81 2q4i s ASN 156 Cb 0.07 0.31 -0.08 0.00 0.02 0.00 0.00 41.25 41.57 2q4i s ASN 156 CO 0.09 -0.47 1.32 -1.81 0.02 0.00 0.00 177.10 176.25 2q4i s ASP 157 N -2.09 6.12 0.60 -1.22 1.11 -1.26 -4.96 116.67 114.97 2q4i s ASP 157 Ca 0.04 2.67 -0.19 0.00 0.18 0.00 0.00 52.55 55.26 2q4i s ASP 157 Cb -0.01 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 2q4i s ASP 157 CO -0.06 -0.98 1.28 -0.76 1.18 0.00 0.00 175.17 175.84 2q4i s LEU 158 N -2.64 3.69 0.59 1.23 1.43 -1.26 -4.96 118.68 116.77 2q4i s LEU 158 Ca 0.60 2.59 -0.18 0.00 -1.03 0.00 0.00 54.13 56.10 2q4i s LEU 158 Cb -0.38 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.30 2q4i s LEU 158 CO 0.49 -1.73 1.18 -2.16 0.23 0.00 0.00 176.35 174.35 2q4i s PRO 159 N -3.20 3.01 0.31 1.29 0.04 -1.26 -4.91 135.00 130.29 2q4i s PRO 159 Ca 0.77 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.57 2q4i s PRO 159 Cb -0.36 -1.95 0.53 0.00 0.04 0.00 0.00 34.50 32.76 2q4i s PRO 159 CO 0.40 -1.15 1.82 -0.07 0.04 0.00 0.00 177.00 178.04 2q4i h LEU 160 N 0.82 0.50 -1.63 -3.56 3.38 -1.96 -1.96 115.31 110.90 2q4i h LEU 160 Ca -0.50 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2q4i h LEU 160 Cb 1.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2q4i h LEU 160 CO 0.55 0.63 0.00 1.05 0.09 0.00 0.00 178.44 180.76 2q4i h GLU 161 N 0.48 0.00 0.00 1.13 4.11 -2.01 -1.90 114.58 116.39 2q4i h GLU 161 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 2q4i h GLU 161 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2q4i h GLU 161 CO 0.02 0.00 -1.37 1.28 0.07 0.00 0.00 179.01 179.01 2q4i n LEU 162 N -2.56 0.50 -0.97 3.06 4.77 -0.75 -4.48 117.00 116.58 2q4i n LEU 162 Ca -0.01 0.14 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 2q4i n LEU 162 Cb 0.12 -0.04 0.21 0.00 -2.33 0.00 0.00 43.42 41.38 2q4i n LEU 162 CO 0.17 -0.07 0.66 0.35 -1.33 0.00 0.00 177.39 177.17 2q4i n THR 163 N -2.39 2.41 -1.18 -5.08 -2.24 -0.72 -4.50 114.28 100.58 2q4i n THR 163 Ca -0.01 -2.54 -0.33 0.00 -2.27 0.00 0.00 64.05 58.90 2q4i n THR 163 Cb 0.53 -0.29 0.12 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.47 2.06 0.06 3.38 0.00 -1.17 -4.84 107.32 104.34 2q4i s GLY 164 Ca 0.42 0.72 -0.34 0.00 0.00 0.00 0.00 44.72 45.52 2q4i s GLY 164 CO 0.02 1.12 1.70 2.41 0.00 0.00 0.00 173.10 178.35 2q4i n THR 165 N -3.29 0.24 -2.15 0.90 -1.04 -1.26 -4.45 114.28 103.22 2q4i n THR 165 Ca 0.12 -0.04 -0.36 0.00 -2.04 0.00 0.00 64.05 61.74 2q4i n THR 165 Cb 0.51 -1.68 0.02 0.00 -1.82 0.00 0.00 70.33 67.36 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 2.18 3.21 -0.03 -2.82 0.02 -1.26 -4.30 135.00 132.00 2q4i s PRO 166 Ca 0.84 1.71 -0.30 0.00 0.02 0.00 0.00 61.00 63.27 2q4i s PRO 166 Cb -0.68 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 2q4i s PRO 166 CO 0.43 -0.99 1.29 0.08 -0.33 0.00 0.00 177.00 177.48 2q4i s VAL 167 N -1.68 3.99 0.15 3.83 1.01 -0.75 -4.92 120.40 122.04 2q4i s VAL 167 Ca 0.74 1.35 -0.34 0.00 0.00 0.00 0.00 61.98 63.73 2q4i s VAL 167 Cb -0.27 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.10 2q4i s VAL 167 CO 0.30 0.00 1.52 -2.65 0.00 0.00 0.00 175.10 174.26 2q4i n PRO 168 N 5.25 1.95 -2.38 2.72 -0.02 -1.26 -4.89 135.00 136.36 2q4i n PRO 168 Ca 0.12 0.70 -0.35 0.00 -2.02 0.00 0.00 63.50 61.95 2q4i n PRO 168 Cb 0.45 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 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 0.70 3.63 0.22 0.52 0.04 -1.26 -4.95 135.00 133.90 2q4i s PRO 169 Ca 0.79 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 63.17 2q4i s PRO 169 Cb -0.73 -2.13 0.07 0.00 0.04 0.00 0.00 34.50 31.75 2q4i s PRO 169 CO 0.41 -0.61 0.95 -1.13 0.04 0.00 0.00 177.00 176.66 2q4i n SER 170 N -0.98 -1.81 0.14 6.66 3.41 -1.26 -5.04 113.62 114.75 2q4i n SER 170 Ca 0.10 -2.03 0.13 0.00 -0.26 0.00 0.00 58.87 56.81 2q4i n SER 170 Cb 0.51 2.96 0.37 0.00 -0.26 0.00 0.00 64.21 67.79 2q4i n SER 170 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2q4i h LYS 171 N 0.00 0.00 -0.13 4.33 2.10 -1.95 -3.30 116.57 117.62 2q4i h LYS 171 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2q4i h LYS 171 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2q4i h LYS 171 CO 0.37 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.57 2q4i n ASP 172 N -2.51 1.62 -4.79 7.07 8.00 -1.26 -4.93 116.55 119.75 2q4i n ASP 172 Ca 0.05 -1.66 -0.33 0.00 0.71 0.00 0.00 54.79 53.55 2q4i n ASP 172 Cb 0.43 -0.08 -0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 -1.84 3.67 0.01 0.53 -5.25 -1.24 -5.04 121.20 112.03 2q4i s ILE 173 Ca 0.34 0.91 -0.12 0.00 -0.99 0.00 0.00 60.65 60.78 2q4i s ILE 173 Cb 0.18 -3.37 0.02 0.00 2.95 0.00 0.00 42.46 42.24 2q4i s ILE 173 CO 0.28 -0.35 0.26 -1.61 -1.79 0.00 0.00 174.94 171.73 2q4i s GLU 174 N -3.67 0.66 0.69 0.37 0.41 -1.26 -5.06 118.70 110.84 2q4i s GLU 174 Ca 0.66 -0.35 -0.15 0.00 -0.41 0.00 0.00 54.97 54.73 2q4i s GLU 174 Cb -0.18 0.29 0.02 0.00 -1.78 0.00 0.00 34.13 32.48 2q4i s GLU 174 CO 0.30 -0.19 1.14 -2.14 -0.49 0.00 0.00 175.26 173.88 2q4i s PRO 175 N -1.73 2.56 0.62 0.39 0.02 -1.26 -4.97 135.00 130.63 2q4i s PRO 175 Ca -0.11 1.49 -0.18 0.00 0.02 0.00 0.00 61.00 62.22 2q4i s PRO 175 Cb -0.04 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 2q4i s PRO 175 CO 0.01 -1.46 0.94 0.00 -0.33 0.00 0.00 177.00 176.16 2q4i n ALA 176 N -2.57 0.06 -0.08 -1.55 0.00 -0.69 -4.70 120.51 110.97 2q4i n ALA 176 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 2q4i n ALA 176 Cb 0.52 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.86 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 0.34 0.35 0.00 0.00 0.11 -1.93 0.48 132.00 131.35 2q4i h PRO 177 Ca -0.48 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2q4i h PRO 177 Cb 1.36 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 2q4i h PRO 177 CO 0.50 0.23 -0.14 0.93 -0.21 0.00 0.00 178.00 179.31 2q4i h GLU 178 N 0.36 0.00 0.19 1.05 5.08 -1.93 -1.98 114.58 117.35 2q4i h GLU 178 Ca 0.12 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.14 2q4i h GLU 178 Cb -0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2q4i h GLU 178 CO -0.05 0.14 -1.65 0.00 -1.00 0.00 0.00 179.01 176.45 2q4i h ALA 179 N 1.86 0.11 0.00 3.43 0.00 -1.55 0.89 119.26 124.00 2q4i h ALA 179 Ca -0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 54.91 53.79 2q4i h ALA 179 Cb 0.48 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2q4i h ALA 179 CO 0.02 0.98 -0.17 -0.22 0.00 0.00 0.00 179.25 179.86 2q4i h LYS 180 N 0.11 0.00 -0.45 0.00 3.64 0.33 -2.87 116.57 117.32 2q4i h LYS 180 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2q4i h LYS 180 Cb 2.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 2q4i h LYS 180 CO 0.20 0.17 0.00 0.00 -2.27 0.00 0.00 179.45 177.55 2q4i n ALA 181 N -2.26 2.62 -3.53 5.00 0.00 -0.78 -5.00 120.51 116.56 2q4i n ALA 181 Ca -0.01 -1.53 -0.22 0.00 0.00 0.00 0.00 53.44 51.68 2q4i n ALA 181 Cb 0.32 -0.70 0.08 0.00 0.00 0.00 0.00 19.45 19.15 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 0.59 -3.56 -4.78 0.00 4.77 -1.09 -5.02 117.00 107.91 2q4i n LEU 182 Ca 0.19 -0.55 -0.34 0.00 -0.03 0.00 0.00 56.01 55.27 2q4i n LEU 182 Cb 0.67 -3.02 0.00 0.00 -2.33 0.00 0.00 43.42 38.75 2q4i n LEU 182 CO 0.15 0.57 0.76 -1.61 -1.33 0.00 0.00 177.39 175.93 2q4i s GLU 183 N -6.02 3.33 0.19 3.23 0.41 0.31 -4.87 118.70 115.28 2q4i s GLU 183 Ca 0.41 1.50 -0.16 0.00 -0.41 0.00 0.00 54.97 56.31 2q4i s GLU 183 Cb -0.18 -2.01 0.18 0.00 -1.78 0.00 0.00 34.13 30.33 2q4i s GLU 183 CO 0.72 -0.85 1.62 -1.35 -0.49 0.00 0.00 175.26 174.91 2q4i h PRO 184 N 0.99 -0.07 0.00 0.39 0.11 -1.91 0.44 132.00 131.95 2q4i h PRO 184 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2q4i h PRO 184 Cb 1.25 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2q4i h PRO 184 CO 0.57 -0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.18 2q4i n SER 185 N -5.42 0.00 -0.63 -2.05 3.41 -1.26 -2.62 113.62 105.05 2q4i n SER 185 Ca 0.05 -0.41 0.06 0.00 -0.26 0.00 0.00 58.87 58.32 2q4i n SER 185 Cb 0.32 -0.12 0.12 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.42 1.35 3.04 5.00 0.00 0.15 -4.85 105.19 110.30 2q4i n GLY 186 Ca 0.14 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.03 0.68 0.76 1.61 -7.23 -0.98 -0.92 120.40 113.30 2q4i s VAL 187 Ca 0.21 -0.58 -0.11 0.00 -1.81 0.00 0.00 61.98 59.70 2q4i s VAL 187 Cb 0.12 -0.61 0.05 0.00 0.56 0.00 0.00 36.38 36.50 2q4i s VAL 187 CO 0.17 0.05 1.09 0.27 -0.31 0.00 0.00 175.10 176.36 2q4i s ILE 188 N -0.50 3.43 0.27 -0.62 -4.36 -0.74 -4.89 121.20 113.77 2q4i s ILE 188 Ca 0.00 0.46 -0.30 0.00 -0.26 0.00 0.00 60.65 60.56 2q4i s ILE 188 Cb -0.05 -2.99 -0.10 0.00 1.25 0.00 0.00 42.46 40.57 2q4i s ILE 188 CO 0.00 -0.61 1.33 -0.44 0.24 0.00 0.00 174.94 175.46 2q4i s SER 189 N -3.46 6.81 -1.63 4.36 0.01 -1.26 -2.32 113.70 116.20 2q4i s SER 189 Ca 0.61 2.57 0.00 0.00 1.31 0.00 0.00 55.95 60.43 2q4i s SER 189 Cb -0.17 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.43 2q4i s SER 189 CO 0.56 -0.55 0.00 0.59 0.41 0.00 0.00 173.24 174.25 2q4i n ASN 190 N 1.77 -5.31 -4.28 2.44 5.03 -1.26 -4.36 115.26 109.29 2q4i n ASN 190 Ca 0.03 0.09 -0.38 0.00 0.87 0.00 0.00 54.58 55.20 2q4i n ASN 190 Cb 0.42 -4.47 0.03 0.00 -1.02 0.00 0.00 39.78 34.74 2q4i n ASN 190 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2q4i n TYR 191 N -3.64 -2.56 -3.21 3.10 0.18 -0.98 -3.12 117.16 106.93 2q4i n TYR 191 Ca -0.22 0.34 -0.36 0.00 1.88 0.00 0.00 57.90 59.54 2q4i n TYR 191 Cb 0.66 -1.73 -0.06 0.00 -0.38 0.00 0.00 39.34 37.83 2q4i n TYR 191 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2q4i s THR 192 N -1.95 4.69 0.00 -3.48 2.01 0.13 -4.69 115.64 112.35 2q4i s THR 192 Ca 0.57 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.68 2q4i s THR 192 Cb -0.40 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2q4i s THR 192 CO 0.66 0.25 0.00 -3.20 -0.69 0.00 0.00 174.62 171.63