#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q0m s VAL 2 N 0.00 4.94 0.46 3.15 1.01 -1.26 -0.93 120.40 127.77 2q0m s VAL 2 Ca 0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 2q0m s VAL 2 Cb 0.00 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 2q0m s VAL 2 CO 0.00 -0.41 1.11 -0.36 0.00 0.00 0.00 175.10 175.44 2q0m s PHE 3 N 1.60 2.97 0.67 5.22 0.40 -0.49 -5.00 117.98 123.35 2q0m s PHE 3 Ca 0.04 1.57 -0.11 0.00 -0.60 0.00 0.00 56.93 57.83 2q0m s PHE 3 Cb -0.21 -3.26 -0.01 0.00 0.51 0.00 0.00 43.02 40.05 2q0m s PHE 3 CO 0.07 -1.19 1.07 0.20 0.70 0.00 0.00 175.22 176.07 2q0m s GLY 4 N -1.55 1.64 0.12 4.36 0.00 -1.26 -4.84 107.32 105.79 2q0m s GLY 4 Ca 0.64 -0.24 -0.25 0.00 0.00 0.00 0.00 44.72 44.87 2q0m s GLY 4 CO 0.30 0.09 1.65 -0.09 0.00 0.00 0.00 173.10 175.04 2q0m h ARG 5 N -0.51 -0.33 -0.07 2.90 2.43 -1.96 -1.96 114.38 114.88 2q0m h ARG 5 Ca -0.45 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.59 2q0m h ARG 5 Cb 1.23 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2q0m h ARG 5 CO 0.63 -0.22 -0.66 0.00 -1.51 0.00 0.00 179.97 178.21 2q0m h GLU 7 N 0.20 0.54 -0.33 0.00 4.81 -1.92 -1.50 114.58 116.39 2q0m h GLU 7 Ca -0.01 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2q0m h GLU 7 Cb 1.19 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2q0m h GLU 7 CO 0.10 0.36 -0.16 1.25 -0.73 0.00 0.00 179.01 179.83 2q0m h LEU 8 N 0.55 0.71 -0.53 1.64 5.85 -1.24 -1.07 115.31 121.23 2q0m h LEU 8 Ca 0.21 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.61 2q0m h LEU 8 Cb 0.06 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 2q0m h LEU 8 CO -0.11 0.96 0.13 0.00 -0.34 0.00 0.00 178.44 179.08 2q0m h ALA 9 N 0.77 0.61 -0.68 1.25 0.00 -1.23 0.19 119.26 120.18 2q0m h ALA 9 Ca 0.07 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2q0m h ALA 9 Cb 0.70 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2q0m h ALA 9 CO 0.05 -0.28 0.23 0.00 0.00 0.00 0.00 179.25 179.24 2q0m h ALA 10 N 1.40 0.89 -0.41 0.00 0.00 -1.15 -0.80 119.26 119.19 2q0m h ALA 10 Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2q0m h ALA 10 Cb 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2q0m h ALA 10 CO -0.33 0.55 0.22 0.00 0.00 0.00 0.00 179.25 179.69 2q0m h ALA 11 N 1.10 0.53 -0.55 0.00 0.00 -0.48 -1.83 119.26 118.02 2q0m h ALA 11 Ca 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2q0m h ALA 11 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2q0m h ALA 11 CO -0.01 0.07 0.13 0.52 0.00 0.00 0.00 179.25 179.96 2q0m h MET 12 N 0.53 0.85 -0.26 0.00 2.86 -0.44 -2.45 114.93 116.02 2q0m h MET 12 Ca 0.14 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2q0m h MET 12 Cb 0.08 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2q0m h MET 12 CO -0.02 0.77 0.04 -0.22 1.06 0.00 0.00 176.91 178.54 2q0m h LYS 13 N 0.82 0.43 -0.29 1.72 3.64 -0.74 -2.23 116.57 119.92 2q0m h LYS 13 Ca 0.18 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 2q0m h LYS 13 Cb 0.31 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2q0m h LYS 13 CO -0.00 0.55 0.20 -0.09 -2.27 0.00 0.00 179.45 177.84 2q0m h ARG 14 N 0.24 0.18 -0.23 1.90 9.65 -1.22 -2.01 114.38 122.88 2q0m h ARG 14 Ca 0.08 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2q0m h ARG 14 Cb 0.33 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2q0m h ARG 14 CO 0.01 0.12 0.00 0.72 2.80 0.00 0.00 179.97 183.61 2q0m n HIS 15 N -4.48 0.30 -0.67 2.20 8.25 -0.91 -4.92 115.22 114.98 2q0m n HIS 15 Ca 0.03 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2q0m n HIS 15 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2q0m n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2q0m n GLY 16 N 1.05 0.60 0.17 -1.41 0.00 -0.76 -4.95 105.19 99.90 2q0m n GLY 16 Ca 0.13 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.73 2q0m n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2q0m h LEU 17 N 0.00 0.00 -9.05 0.99 3.38 -1.60 -3.39 115.31 105.63 2q0m h LEU 17 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2q0m h LEU 17 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2q0m h LEU 17 CO 0.00 0.05 1.37 -0.62 0.09 0.00 0.00 178.44 179.32 2q0m s ASP 18 N -5.89 5.83 -0.76 -0.43 -1.08 -1.26 -1.49 116.67 111.59 2q0m s ASP 18 Ca 0.04 1.95 0.00 0.00 -0.52 0.00 0.00 52.55 54.02 2q0m s ASP 18 Cb 0.07 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 2q0m s ASP 18 CO 0.72 -1.65 0.00 0.59 0.52 0.00 0.00 175.17 175.35 2q0m n ASN 19 N 10.24 -4.64 -4.70 -0.34 3.02 0.49 -4.89 115.26 114.44 2q0m n ASN 19 Ca 0.25 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.56 2q0m n ASN 19 Cb 0.44 -2.77 -0.03 0.00 -0.61 0.00 0.00 39.78 36.82 2q0m n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2q0m s TYR 20 N -2.01 2.75 -1.30 3.10 5.04 -0.55 -0.63 117.35 123.76 2q0m s TYR 20 Ca 0.00 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.19 2q0m s TYR 20 Cb 0.00 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.44 2q0m s TYR 20 CO 0.00 -3.34 0.00 0.54 -1.34 0.00 0.00 175.55 171.41 2q0m n ARG 21 N 4.94 -1.85 -0.71 4.97 5.12 -1.26 -1.72 116.66 126.15 2q0m n ARG 21 Ca 0.14 0.73 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 2q0m n ARG 21 Cb 0.41 -5.23 0.00 0.00 -1.16 0.00 0.00 32.46 26.48 2q0m n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2q0m n GLY 22 N -0.66 0.75 3.52 -0.13 0.00 0.19 -5.02 105.19 103.84 2q0m n GLY 22 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2q0m n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q0m s TYR 23 N -2.68 3.12 0.77 1.61 2.02 -0.70 -4.84 117.35 116.65 2q0m s TYR 23 Ca 0.00 -0.09 -0.14 0.00 -0.37 0.00 0.00 57.07 56.47 2q0m s TYR 23 Cb 0.00 -3.12 0.06 0.00 -0.40 0.00 0.00 41.96 38.50 2q0m s TYR 23 CO 0.00 -0.75 1.20 -1.54 -1.57 0.00 0.00 175.55 172.90 2q0m s SER 24 N 1.89 3.90 0.26 2.29 1.04 -1.26 -0.38 113.70 121.44 2q0m s SER 24 Ca 0.19 2.34 -0.03 0.00 0.48 0.00 0.00 55.95 58.92 2q0m s SER 24 Cb -0.15 -2.59 0.54 0.00 0.10 0.00 0.00 66.02 63.92 2q0m s SER 24 CO 0.16 -2.46 1.65 0.25 0.98 0.00 0.00 173.24 173.82 2q0m h LEU 25 N -0.63 -0.17 -2.05 2.42 5.85 -1.90 -1.25 115.31 117.58 2q0m h LEU 25 Ca -0.47 0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.53 2q0m h LEU 25 Cb 1.29 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 2q0m h LEU 25 CO 0.48 -0.15 0.23 1.23 -0.34 0.00 0.00 178.44 179.90 2q0m h GLY 26 N 0.17 0.00 1.01 3.75 0.00 -1.91 -1.07 103.07 105.02 2q0m h GLY 26 Ca 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.72 2q0m h GLY 26 CO -0.64 0.00 0.06 3.43 0.00 0.00 0.00 176.54 179.39 2q0m h ASN 27 N 0.00 0.87 -0.34 0.19 2.35 -1.46 -0.09 115.58 117.10 2q0m h ASN 27 Ca 0.14 -0.28 -0.17 0.00 -0.55 0.00 0.00 56.30 55.45 2q0m h ASN 27 Cb 0.61 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 2q0m h ASN 27 CO -0.00 0.93 -0.43 -0.50 -1.65 0.00 0.00 177.43 175.78 2q0m h TRP 28 N 0.78 1.11 -0.27 1.19 4.06 -1.29 -1.76 115.95 119.77 2q0m h TRP 28 Ca 0.16 -0.35 -0.06 0.00 2.06 0.00 0.00 58.89 60.70 2q0m h TRP 28 Cb 0.45 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 2q0m h TRP 28 CO 0.03 1.18 -0.07 0.28 -3.56 0.00 0.00 178.44 176.30 2q0m h VAL 29 N 0.73 1.28 -0.37 1.49 2.07 -1.35 -1.35 116.25 118.76 2q0m h VAL 29 Ca 0.05 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.52 2q0m h VAL 29 Cb 1.03 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 2q0m h VAL 29 CO 0.10 0.35 0.12 0.00 0.02 0.00 0.00 177.57 178.16 2q0m h ALA 31 N 1.24 0.29 -0.53 0.00 0.00 -1.23 -2.24 119.26 116.80 2q0m h ALA 31 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2q0m h ALA 31 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2q0m h ALA 31 CO -0.18 -0.30 0.28 0.00 0.00 0.00 0.00 179.25 179.05 2q0m h ALA 32 N 1.14 1.50 -0.35 0.00 0.00 -0.98 0.11 119.26 120.68 2q0m h ALA 32 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2q0m h ALA 32 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2q0m h ALA 32 CO -0.09 0.41 0.21 -0.22 0.00 0.00 0.00 179.25 179.56 2q0m h LYS 33 N 0.73 0.48 0.00 0.00 1.63 -0.62 -1.49 116.57 117.30 2q0m h LYS 33 Ca 0.19 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2q0m h LYS 33 Cb 0.04 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 2q0m h LYS 33 CO -0.03 0.36 -0.76 0.74 -3.45 0.00 0.00 179.45 176.30 2q0m h PHE 34 N 0.46 0.00 0.24 1.91 0.04 -1.12 0.70 116.94 119.16 2q0m h PHE 34 Ca 0.13 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.56 2q0m h PHE 34 Cb 0.00 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.18 2q0m h PHE 34 CO -0.04 0.00 -1.50 0.93 -0.60 0.00 0.00 178.31 177.10 2q0m h GLU 35 N 0.00 0.51 0.00 1.51 4.39 -0.76 -3.43 114.58 116.80 2q0m h GLU 35 Ca 0.00 -0.87 0.00 0.00 0.34 0.00 0.00 59.36 58.83 2q0m h GLU 35 Cb 0.96 0.32 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2q0m h GLU 35 CO 0.00 1.42 0.00 -1.13 -1.16 0.00 0.00 179.01 178.14 2q0m n SER 36 N -3.72 0.14 -4.04 1.42 3.41 -0.59 -4.84 113.62 105.40 2q0m n SER 36 Ca -0.18 -0.93 -0.32 0.00 -0.26 0.00 0.00 58.87 57.18 2q0m n SER 36 Cb 1.09 0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 65.05 2q0m n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2q0m n ASN 37 N -0.01 -3.62 -0.88 4.04 5.15 0.24 -1.72 115.26 118.45 2q0m n ASN 37 Ca 0.00 -0.90 -0.12 0.00 -0.60 0.00 0.00 54.58 52.96 2q0m n ASN 37 Cb 0.20 -3.33 -0.05 0.00 -0.53 0.00 0.00 39.78 36.07 2q0m n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2q0m n PHE 38 N -4.52 0.00 -3.30 1.20 3.72 -1.14 -4.85 117.46 108.57 2q0m n PHE 38 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 2q0m n PHE 38 Cb 0.53 -2.50 -0.08 0.00 -0.94 0.00 0.00 39.48 36.49 2q0m n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2q0m s ASN 39 N -2.56 6.28 0.49 4.37 3.84 -0.70 -1.39 114.94 125.26 2q0m s ASN 39 Ca 0.00 0.02 0.26 0.00 0.21 0.00 0.00 52.86 53.35 2q0m s ASN 39 Cb 0.00 -2.24 1.23 0.00 -0.55 0.00 0.00 41.25 39.69 2q0m s ASN 39 CO 0.00 -0.38 1.97 0.71 -2.79 0.00 0.00 177.10 176.61 2q0m h THR 40 N 5.54 0.55 -0.42 -5.21 1.35 -1.35 -2.86 112.91 110.51 2q0m h THR 40 Ca -0.29 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 2q0m h THR 40 Cb 1.14 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2q0m h THR 40 CO 0.73 0.16 0.00 0.00 -0.25 0.00 0.00 175.52 176.16 2q0m n GLN 41 N -3.51 2.01 -2.00 4.72 6.02 -1.26 -4.03 117.38 119.32 2q0m n GLN 41 Ca -0.01 -1.57 -0.41 0.00 -0.01 0.00 0.00 57.00 55.00 2q0m n GLN 41 Cb 0.32 -1.35 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 2q0m n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2q0m s ALA 42 N -1.44 3.65 0.01 -1.58 0.00 -1.08 -4.83 121.76 116.49 2q0m s ALA 42 Ca 0.30 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2q0m s ALA 42 Cb 0.16 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2q0m s ALA 42 CO 0.21 -0.74 -0.02 0.95 0.00 0.00 0.00 175.76 176.15 2q0m s THR 43 N 0.22 0.14 -0.09 0.00 -4.23 -1.26 -0.37 115.64 110.04 2q0m s THR 43 Ca 0.61 -0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 60.73 2q0m s THR 43 Cb -0.42 -0.18 0.05 0.00 1.34 0.00 0.00 72.50 73.29 2q0m s THR 43 CO 0.41 -0.13 0.20 0.20 -0.54 0.00 0.00 174.62 174.76 2q0m s ASN 44 N -0.50 0.10 0.09 3.99 -0.87 -0.77 -4.97 114.94 112.00 2q0m s ASN 44 Ca -0.04 0.43 -0.30 0.00 -1.57 0.00 0.00 52.86 51.38 2q0m s ASN 44 Cb -0.04 0.37 -0.05 0.00 -0.02 0.00 0.00 41.25 41.51 2q0m s ASN 44 CO -0.00 -0.19 0.99 -0.60 -2.57 0.00 0.00 177.10 174.72 2q0m s ARG 45 N 1.66 4.65 0.34 -0.60 6.06 -1.26 -0.63 118.95 129.16 2q0m s ARG 45 Ca -0.05 1.48 -0.03 0.00 -2.50 0.00 0.00 55.73 54.63 2q0m s ARG 45 Cb -0.11 -3.39 -0.04 0.00 0.06 0.00 0.00 34.95 31.47 2q0m s ARG 45 CO -0.07 0.12 0.59 -0.80 -2.50 0.00 0.00 175.30 172.64 2q0m s ASN 46 N 0.26 6.37 0.61 -2.12 0.02 0.17 -4.97 114.94 115.27 2q0m s ASN 46 Ca 0.49 0.66 0.38 0.00 -1.02 0.00 0.00 52.86 53.37 2q0m s ASN 46 Cb -0.24 -2.12 1.96 0.00 0.02 0.00 0.00 41.25 40.87 2q0m s ASN 46 CO 0.30 -0.29 2.22 0.71 0.02 0.00 0.00 177.10 180.05 2q0m h THR 47 N 0.97 0.13 -0.01 1.60 1.35 -1.97 -1.64 112.91 113.34 2q0m h THR 47 Ca -0.48 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2q0m h THR 47 Cb 1.20 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2q0m h THR 47 CO 0.64 0.02 -0.01 -0.90 -0.25 0.00 0.00 175.52 175.02 2q0m n ASP 48 N -3.23 0.72 0.00 5.36 5.68 -1.26 -4.91 116.55 118.91 2q0m n ASP 48 Ca -0.02 -1.19 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 2q0m n ASP 48 Cb 0.16 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2q0m n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2q0m n GLY 49 N 1.11 0.81 3.89 6.12 0.00 -0.61 -4.99 105.19 111.50 2q0m n GLY 49 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2q0m n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q0m s SER 50 N -1.84 4.43 -0.01 1.61 1.04 -1.26 -4.68 113.70 112.99 2q0m s SER 50 Ca 0.00 0.81 0.02 0.00 0.48 0.00 0.00 55.95 57.26 2q0m s SER 50 Cb 0.00 -1.31 -0.00 0.00 0.10 0.00 0.00 66.02 64.81 2q0m s SER 50 CO 0.00 -1.96 -0.06 -0.89 0.98 0.00 0.00 173.24 171.31 2q0m s THR 51 N -3.55 0.52 -0.03 2.02 2.01 -1.26 -0.66 115.64 114.69 2q0m s THR 51 Ca 0.62 -0.26 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 2q0m s THR 51 Cb -0.11 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 2q0m s THR 51 CO 0.49 0.16 0.48 -1.81 -0.69 0.00 0.00 174.62 173.25 2q0m s ASP 52 N -0.02 6.83 -0.05 3.53 1.01 0.20 -1.17 116.67 126.99 2q0m s ASP 52 Ca 0.01 0.99 0.04 0.00 0.71 0.00 0.00 52.55 54.30 2q0m s ASP 52 Cb -0.04 -2.30 -0.00 0.00 1.01 0.00 0.00 42.92 41.59 2q0m s ASP 52 CO -0.00 0.17 -0.17 -0.31 0.21 0.00 0.00 175.17 175.07 2q0m s TYR 53 N -0.37 1.73 0.00 4.23 1.51 -0.18 -1.84 117.35 122.42 2q0m s TYR 53 Ca 0.26 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 2q0m s TYR 53 Cb -0.17 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.52 2q0m s TYR 53 CO 0.14 -0.18 0.00 0.41 -1.11 0.00 0.00 175.55 174.81 2q0m n GLY 54 N 3.17 -2.42 0.27 0.71 0.00 0.50 -1.61 105.19 105.81 2q0m n GLY 54 Ca -0.18 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.22 2q0m n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2q0m h ILE 55 N 0.00 0.62 -0.18 -0.61 2.10 -1.71 -1.26 117.51 116.46 2q0m h ILE 55 Ca 0.00 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.62 2q0m h ILE 55 Cb 0.00 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 36.93 2q0m h ILE 55 CO 0.00 0.07 0.00 0.18 -1.08 0.00 0.00 178.15 177.32 2q0m n LEU 56 N -3.81 2.90 -3.91 2.19 4.77 -1.26 -3.98 117.00 113.90 2q0m n LEU 56 Ca -0.02 -2.50 -0.27 0.00 -0.03 0.00 0.00 56.01 53.18 2q0m n LEU 56 Cb 0.17 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2q0m n LEU 56 CO 0.30 0.66 -0.21 0.00 -1.33 0.00 0.00 177.39 176.81 2q0m n GLN 57 N -0.36 -2.81 -2.49 3.23 1.13 -0.48 -4.89 117.38 110.71 2q0m n GLN 57 Ca 0.13 0.40 -0.42 0.00 -1.94 0.00 0.00 57.00 55.17 2q0m n GLN 57 Cb 0.57 -4.38 -0.03 0.00 0.11 0.00 0.00 30.24 26.51 2q0m n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2q0m s ILE 58 N -3.86 4.08 -0.08 5.09 1.01 -0.64 -4.34 121.20 122.46 2q0m s ILE 58 Ca 0.10 1.59 -0.23 0.00 0.00 0.00 0.00 60.65 62.10 2q0m s ILE 58 Cb -0.04 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 2q0m s ILE 58 CO 0.89 0.17 0.71 0.21 0.00 0.00 0.00 174.94 176.92 2q0m s ASN 59 N 0.66 6.98 0.04 3.58 3.84 -1.26 -1.01 114.94 127.76 2q0m s ASN 59 Ca 0.55 1.18 0.10 0.00 0.21 0.00 0.00 52.86 54.90 2q0m s ASN 59 Cb -0.28 -2.41 0.45 0.00 -0.55 0.00 0.00 41.25 38.45 2q0m s ASN 59 CO 0.31 -0.14 1.32 -1.54 -2.79 0.00 0.00 177.10 174.26 2q0m n SER 60 N 3.92 0.08 -0.26 -4.21 3.41 -0.32 -2.07 113.62 114.16 2q0m n SER 60 Ca -0.01 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2q0m n SER 60 Cb 0.51 -0.54 0.21 0.00 -0.26 0.00 0.00 64.21 64.13 2q0m n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2q0m h ARG 61 N 0.00 1.08 0.00 4.33 9.65 -1.84 -3.38 114.38 124.22 2q0m h ARG 61 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2q0m h ARG 61 Cb 0.15 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 2q0m h ARG 61 CO 0.00 0.71 -0.87 0.91 2.80 0.00 0.00 179.97 183.52 2q0m n TRP 62 N -4.41 0.00 -0.04 2.20 8.01 -1.11 -1.28 117.44 120.80 2q0m n TRP 62 Ca 0.09 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.28 2q0m n TRP 62 Cb 0.04 0.00 -0.11 0.00 -2.01 0.00 0.00 31.31 29.23 2q0m n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 2q0m n TRP 63 N -2.18 0.00 -3.99 -5.99 7.02 -0.88 -0.91 117.44 110.51 2q0m n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 2q0m n TRP 63 Cb 0.44 -0.51 -0.08 0.00 -2.42 0.00 0.00 31.31 28.73 2q0m n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2q0m s ASN 65 N -2.93 5.51 0.00 0.00 2.47 -0.46 -4.59 114.94 114.93 2q0m s ASN 65 Ca 0.11 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.42 2q0m s ASN 65 Cb 0.06 -1.95 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 2q0m s ASN 65 CO -0.06 0.14 0.45 -0.90 -3.72 0.00 0.00 177.10 173.01 2q0m n ASP 66 N 3.73 0.91 0.00 -4.21 5.68 -1.26 -0.82 116.55 120.58 2q0m n ASP 66 Ca -0.16 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 2q0m n ASP 66 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2q0m n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2q0m n GLY 67 N -0.00 0.66 1.69 6.12 0.00 -1.26 -4.83 105.19 107.57 2q0m n GLY 67 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2q0m n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2q0m n ARG 68 N -2.17 0.29 -3.80 1.61 1.85 -1.26 -4.95 116.66 108.24 2q0m n ARG 68 Ca 0.00 -2.15 -0.28 0.00 -1.00 0.00 0.00 57.85 54.41 2q0m n ARG 68 Cb 0.03 -0.21 -0.12 0.00 -1.05 0.00 0.00 32.46 31.11 2q0m n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2q0m s THR 69 N -0.60 2.26 -0.08 8.89 2.01 -1.26 -4.81 115.64 122.05 2q0m s THR 69 Ca 0.30 -3.73 -0.37 0.00 0.31 0.00 0.00 61.69 58.20 2q0m s THR 69 Cb 0.35 -2.51 -0.15 0.00 0.01 0.00 0.00 72.50 70.20 2q0m s THR 69 CO -0.14 -1.02 1.63 -2.65 -0.69 0.00 0.00 174.62 171.75 2q0m n PRO 70 N 2.39 1.45 -1.00 4.92 -0.02 -1.26 -1.59 135.00 139.90 2q0m n PRO 70 Ca 0.19 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2q0m n PRO 70 Cb 0.37 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2q0m n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q0m n GLY 71 N 3.63 0.43 3.96 -1.23 0.00 -1.26 -5.03 105.19 105.69 2q0m n GLY 71 Ca 0.22 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 2q0m n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q0m s SER 72 N -2.60 4.49 0.47 1.61 1.04 -0.62 -5.08 113.70 113.00 2q0m s SER 72 Ca 0.00 0.02 0.06 0.00 0.48 0.00 0.00 55.95 56.51 2q0m s SER 72 Cb 0.00 -0.52 -0.01 0.00 0.10 0.00 0.00 66.02 65.58 2q0m s SER 72 CO 0.00 -1.77 0.25 -0.13 0.98 0.00 0.00 173.24 172.57 2q0m s ARG 73 N -5.20 2.26 -0.40 4.02 1.81 -0.41 -5.00 118.95 116.03 2q0m s ARG 73 Ca 0.64 -1.95 0.10 0.00 -1.72 0.00 0.00 55.73 52.80 2q0m s ARG 73 Cb -0.08 -1.99 0.31 0.00 -0.45 0.00 0.00 34.95 32.75 2q0m s ARG 73 CO 0.44 -0.32 0.68 -1.71 -0.68 0.00 0.00 175.30 173.71 2q0m n ASN 74 N -1.44 0.96 0.28 0.23 5.15 -1.14 -3.83 115.26 115.46 2q0m n ASN 74 Ca -0.03 -2.97 0.17 0.00 -0.60 0.00 0.00 54.58 51.15 2q0m n ASN 74 Cb 0.65 -0.62 0.71 0.00 -0.53 0.00 0.00 39.78 39.99 2q0m n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2q0m h LEU 75 N 3.35 0.00 -0.78 1.20 3.38 -1.07 -0.80 115.31 120.60 2q0m h LEU 75 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2q0m h LEU 75 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2q0m h LEU 75 CO 0.52 0.03 -0.21 0.00 0.09 0.00 0.00 178.44 178.87 2q0m n ASN 77 N -0.23 -3.63 -3.81 0.00 3.02 -0.31 -5.00 115.26 105.32 2q0m n ASN 77 Ca 0.14 -0.95 -0.12 0.00 -0.03 0.00 0.00 54.58 53.62 2q0m n ASN 77 Cb 0.38 -3.61 -0.09 0.00 -0.61 0.00 0.00 39.78 35.86 2q0m n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2q0m s ILE 78 N -3.59 0.08 0.43 2.41 -4.36 -1.26 -5.07 121.20 109.83 2q0m s ILE 78 Ca 0.29 -0.66 -0.24 0.00 -0.26 0.00 0.00 60.65 59.78 2q0m s ILE 78 Cb -0.09 -0.68 -0.08 0.00 1.25 0.00 0.00 42.46 42.86 2q0m s ILE 78 CO 0.85 -0.36 1.21 -2.16 0.24 0.00 0.00 174.94 174.71 2q0m s PRO 79 N -1.79 3.90 0.45 0.37 0.04 -1.26 -1.36 135.00 135.34 2q0m s PRO 79 Ca -0.11 1.91 0.11 0.00 0.04 0.00 0.00 61.00 62.95 2q0m s PRO 79 Cb -0.04 -2.59 1.00 0.00 0.04 0.00 0.00 34.50 32.91 2q0m s PRO 79 CO 0.01 -0.47 2.07 0.00 0.04 0.00 0.00 177.00 178.64 2q0m h SER 81 N 0.27 0.12 0.28 0.00 4.64 -1.91 0.36 113.55 117.31 2q0m h SER 81 Ca 0.07 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2q0m h SER 81 Cb 0.05 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2q0m h SER 81 CO -0.01 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 2q0m h ALA 82 N 1.68 1.00 -0.01 5.18 0.00 -1.69 -1.71 119.26 123.71 2q0m h ALA 82 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2q0m h ALA 82 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2q0m h ALA 82 CO -0.04 0.00 -0.00 1.28 0.00 0.00 0.00 179.25 180.48 2q0m n LEU 83 N -2.67 0.84 -0.41 0.00 4.77 0.11 -3.73 117.00 115.91 2q0m n LEU 83 Ca -0.01 -0.27 0.08 0.00 -0.03 0.00 0.00 56.01 55.78 2q0m n LEU 83 Cb 0.12 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2q0m n LEU 83 CO 0.18 0.14 0.30 0.18 -1.33 0.00 0.00 177.39 176.85 2q0m n LEU 84 N -0.36 1.75 -4.73 2.23 4.77 -0.64 -3.87 117.00 116.16 2q0m n LEU 84 Ca 0.21 -0.79 -0.35 0.00 -0.03 0.00 0.00 56.01 55.05 2q0m n LEU 84 Cb 0.25 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.42 2q0m n LEU 84 CO 0.17 0.33 0.80 -0.55 -1.33 0.00 0.00 177.39 176.82 2q0m s SER 85 N -1.88 4.44 0.48 -1.43 0.15 -1.24 -4.05 113.70 110.17 2q0m s SER 85 Ca 0.15 2.34 0.17 0.00 0.70 0.00 0.00 55.95 59.30 2q0m s SER 85 Cb 0.13 -2.59 1.17 0.00 -1.71 0.00 0.00 66.02 63.03 2q0m s SER 85 CO 0.39 -2.10 2.06 0.28 1.20 0.00 0.00 173.24 175.08 2q0m h SER 86 N -0.06 0.00 -3.36 5.45 0.02 -1.94 -3.41 113.55 110.25 2q0m h SER 86 Ca -0.48 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.90 2q0m h SER 86 Cb 1.29 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.77 2q0m h SER 86 CO 0.51 0.11 0.16 -0.62 -1.14 0.00 0.00 176.83 175.85 2q0m s ASP 87 N -6.90 6.93 0.00 3.07 -1.08 -1.26 -4.96 116.67 112.47 2q0m s ASP 87 Ca -0.04 1.13 0.23 0.00 -0.52 0.00 0.00 52.55 53.35 2q0m s ASP 87 Cb 0.16 -2.41 0.95 0.00 -1.46 0.00 0.00 42.92 40.16 2q0m s ASP 87 CO 0.67 -0.20 1.66 2.30 0.52 0.00 0.00 175.17 180.12 2q0m n ILE 88 N 4.14 0.11 -0.17 4.11 -5.35 -1.26 -4.42 119.36 116.51 2q0m n ILE 88 Ca 0.00 -0.25 -0.05 0.00 -0.27 0.00 0.00 62.75 62.18 2q0m n ILE 88 Cb 0.50 0.24 0.01 0.00 -1.74 0.00 0.00 39.64 38.66 2q0m n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2q0m h THR 89 N 1.77 0.24 -0.59 7.28 2.02 -1.94 0.46 112.91 122.14 2q0m h THR 89 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2q0m h THR 89 Cb 0.38 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2q0m h THR 89 CO 0.00 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.16 2q0m h ALA 90 N 1.06 0.76 -0.30 6.16 0.00 -1.82 -0.60 119.26 124.52 2q0m h ALA 90 Ca 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2q0m h ALA 90 Cb 0.53 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2q0m h ALA 90 CO -0.62 0.34 0.11 0.77 0.00 0.00 0.00 179.25 179.85 2q0m h SER 91 N 0.81 0.42 -0.26 0.00 0.02 -1.64 -2.18 113.55 110.72 2q0m h SER 91 Ca 0.20 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2q0m h SER 91 Cb 0.14 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2q0m h SER 91 CO -0.02 0.49 0.13 0.58 -1.14 0.00 0.00 176.83 176.87 2q0m h VAL 92 N 0.33 1.14 -0.59 2.27 2.07 -0.70 0.33 116.25 121.10 2q0m h VAL 92 Ca 0.10 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 2q0m h VAL 92 Cb 0.21 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2q0m h VAL 92 CO -0.01 0.14 0.20 0.78 0.02 0.00 0.00 177.57 178.70 2q0m h ASN 93 N 0.29 0.81 -0.14 0.57 2.35 -1.08 -0.98 115.58 117.40 2q0m h ASN 93 Ca 0.09 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.61 2q0m h ASN 93 Cb 0.10 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2q0m h ASN 93 CO -0.01 0.75 -0.33 0.00 -1.65 0.00 0.00 177.43 176.19 2q0m h ALA 95 N 0.54 1.60 -0.72 0.00 0.00 -0.66 -0.68 119.26 119.35 2q0m h ALA 95 Ca -0.00 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2q0m h ALA 95 Cb 0.93 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2q0m h ALA 95 CO 0.07 0.03 0.45 0.87 0.00 0.00 0.00 179.25 180.67 2q0m h LYS 96 N 0.82 0.86 -0.36 0.00 1.57 -1.07 0.89 116.57 119.27 2q0m h LYS 96 Ca 0.55 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 59.21 2q0m h LYS 96 Cb 0.77 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2q0m h LYS 96 CO -0.35 0.57 -0.05 0.87 -0.57 0.00 0.00 179.45 179.92 2q0m h LYS 97 N 0.88 0.68 0.13 3.15 1.57 -1.10 -2.74 116.57 119.14 2q0m h LYS 97 Ca 0.29 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2q0m h LYS 97 Cb 0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2q0m h LYS 97 CO -0.11 0.82 -0.09 0.82 -0.57 0.00 0.00 179.45 180.32 2q0m h ILE 98 N 0.48 0.80 0.00 1.86 2.04 -0.90 -2.39 117.51 119.40 2q0m h ILE 98 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2q0m h ILE 98 Cb 0.54 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2q0m h ILE 98 CO 0.03 0.00 0.00 1.62 0.00 0.00 0.00 178.15 179.80 2q0m h VAL 99 N -0.22 0.00 -0.43 1.67 3.04 -0.82 -1.97 116.25 117.52 2q0m h VAL 99 Ca -0.01 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2q0m h VAL 99 Cb 0.19 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2q0m h VAL 99 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.36 2q0m n SER 100 N -2.58 2.89 -0.19 3.17 7.64 -0.92 -3.55 113.62 120.08 2q0m n SER 100 Ca 0.00 -1.94 0.14 0.00 1.01 0.00 0.00 58.87 58.09 2q0m n SER 100 Cb 0.20 -0.29 0.63 0.00 -1.01 0.00 0.00 64.21 63.75 2q0m n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2q0m n ASP 101 N 1.09 0.68 0.00 6.43 2.03 -0.74 -4.91 116.55 121.14 2q0m n ASP 101 Ca 0.19 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.59 2q0m n ASP 101 Cb 0.49 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 2q0m n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2q0m n GLY 102 N 1.21 0.94 1.17 0.27 0.00 -1.26 -4.94 105.19 102.58 2q0m n GLY 102 Ca 0.17 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2q0m n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2q0m n ASN 103 N 0.00 3.51 0.00 1.61 3.02 -1.26 -5.07 115.26 117.07 2q0m n ASN 103 Ca 0.00 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 2q0m n ASN 103 Cb 0.00 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2q0m n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q0m n GLY 104 N 1.52 2.33 0.00 7.41 0.00 -1.23 -2.37 105.19 112.85 2q0m n GLY 104 Ca 0.20 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.93 2q0m n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2q0m n MET 105 N 9.47 0.72 0.31 1.61 2.81 -1.26 -3.25 117.12 127.52 2q0m n MET 105 Ca 0.00 0.01 0.19 0.00 -1.81 0.00 0.00 57.70 56.09 2q0m n MET 105 Cb 0.00 -1.50 1.01 0.00 -0.71 0.00 0.00 33.22 32.02 2q0m n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2q0m h ASN 106 N 0.00 0.00 -0.67 7.83 2.35 -1.88 -1.58 115.58 121.63 2q0m h ASN 106 Ca 0.00 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 55.93 2q0m h ASN 106 Cb 0.11 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 2q0m h ASN 106 CO 0.00 0.02 0.47 0.00 -1.65 0.00 0.00 177.43 176.27 2q0m h ALA 107 N 1.98 2.54 -1.76 -0.83 0.00 -1.72 -3.33 119.26 116.14 2q0m h ALA 107 Ca -0.00 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.23 2q0m h ALA 107 Cb 0.11 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.77 2q0m h ALA 107 CO 0.00 -0.74 0.41 -1.58 0.00 0.00 0.00 179.25 177.35 2q0m s TRP 108 N -5.06 2.82 0.28 0.00 0.51 -0.59 -4.93 118.94 111.96 2q0m s TRP 108 Ca -0.05 -0.76 0.01 0.00 -2.12 0.00 0.00 56.10 53.18 2q0m s TRP 108 Cb 0.20 -4.20 0.58 0.00 -0.81 0.00 0.00 33.47 29.25 2q0m s TRP 108 CO 0.75 -1.52 1.79 0.28 -0.51 0.00 0.00 176.95 177.74 2q0m h VAL 109 N 5.94 0.78 -0.30 4.03 2.07 -1.84 0.59 116.25 127.53 2q0m h VAL 109 Ca -0.26 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 2q0m h VAL 109 Cb 1.07 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2q0m h VAL 109 CO 1.15 0.14 -0.08 0.00 0.02 0.00 0.00 177.57 178.80 2q0m h ALA 110 N 1.57 1.30 -0.25 1.67 0.00 -1.92 -0.58 119.26 121.06 2q0m h ALA 110 Ca 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2q0m h ALA 110 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2q0m h ALA 110 CO -0.34 0.47 0.10 2.35 0.00 0.00 0.00 179.25 181.83 2q0m h TRP 111 N 0.46 0.37 -0.85 0.00 7.01 -1.21 -1.03 115.95 120.71 2q0m h TRP 111 Ca 0.09 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 2q0m h TRP 111 Cb 0.43 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.33 2q0m h TRP 111 CO 0.01 0.39 0.43 -0.09 -2.79 0.00 0.00 178.44 176.39 2q0m h ARG 112 N 0.25 1.21 0.00 2.65 2.43 -0.80 0.95 114.38 121.07 2q0m h ARG 112 Ca 0.08 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2q0m h ARG 112 Cb 0.17 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2q0m h ARG 112 CO -0.01 0.91 -0.41 -0.91 -1.51 0.00 0.00 179.97 178.04 2q0m h ASN 113 N 1.20 0.00 0.00 -3.80 2.35 -1.01 -3.38 115.58 110.95 2q0m h ASN 113 Ca 0.30 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2q0m h ASN 113 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2q0m h ASN 113 CO -0.04 0.01 -0.27 0.54 -1.65 0.00 0.00 177.43 176.02 2q0m n ARG 114 N -2.85 3.77 -0.03 0.81 1.74 -0.40 -4.90 116.66 114.80 2q0m n ARG 114 Ca 0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 2q0m n ARG 114 Cb 0.53 -0.57 -0.02 0.00 -1.02 0.00 0.00 32.46 31.37 2q0m n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2q0m n LYS 116 N -2.74 2.26 -0.06 0.00 4.81 0.22 -1.53 118.16 121.12 2q0m n LYS 116 Ca -0.09 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2q0m n LYS 116 Cb 0.59 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 33.03 2q0m n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2q0m n GLY 117 N 3.63 2.73 3.98 3.14 0.00 -1.26 -4.97 105.19 112.44 2q0m n GLY 117 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2q0m n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2q0m s THR 118 N -3.01 2.08 -1.24 2.61 -4.23 -0.58 -4.98 115.64 106.28 2q0m s THR 118 Ca 0.00 -0.44 -0.18 0.00 -1.18 0.00 0.00 61.69 59.89 2q0m s THR 118 Cb 0.00 -2.64 0.09 0.00 1.34 0.00 0.00 72.50 71.29 2q0m s THR 118 CO 0.00 0.00 1.63 -0.62 -0.54 0.00 0.00 174.62 175.09 2q0m s ASP 119 N -4.79 6.84 0.49 3.99 2.15 -1.26 -4.79 116.67 119.30 2q0m s ASP 119 Ca 0.69 -2.44 0.28 0.00 0.43 0.00 0.00 52.55 51.51 2q0m s ASP 119 Cb -0.05 -2.54 1.07 0.00 -0.30 0.00 0.00 42.92 41.10 2q0m s ASP 119 CO 0.47 -1.12 1.88 -0.37 -0.17 0.00 0.00 175.17 175.85 2q0m h VAL 120 N 5.54 0.26 0.00 1.11 -1.51 -1.90 -2.84 116.25 116.91 2q0m h VAL 120 Ca 0.39 -0.85 -0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2q0m h VAL 120 Cb 0.89 1.68 -0.00 0.00 -2.13 0.00 0.00 31.29 31.73 2q0m h VAL 120 CO 1.41 0.11 -0.01 -0.61 -1.23 0.00 0.00 177.57 177.23 2q0m h GLN 121 N 0.00 0.00 0.00 5.19 4.15 -1.88 -1.04 115.11 121.54 2q0m h GLN 121 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2q0m h GLN 121 Cb 0.67 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 2q0m h GLN 121 CO 0.01 0.01 -0.08 0.00 -1.93 0.00 0.00 178.83 176.85 2q0m h ALA 122 N 1.99 1.56 0.00 3.38 0.00 -1.90 -1.63 119.26 122.67 2q0m h ALA 122 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2q0m h ALA 122 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2q0m h ALA 122 CO 0.00 0.10 0.00 -1.49 0.00 0.00 0.00 179.25 177.86 2q0m h TRP 123 N 0.00 0.00 -0.01 0.00 4.06 -1.41 -3.04 115.95 115.56 2q0m h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2q0m h TRP 123 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 2q0m h TRP 123 CO 0.00 0.00 -0.19 0.44 -3.56 0.00 0.00 178.44 175.13 2q0m n ILE 124 N -2.90 0.00 -1.70 1.49 -5.35 -0.76 -4.79 119.36 105.35 2q0m n ILE 124 Ca 0.01 -0.41 -0.44 0.00 -0.27 0.00 0.00 62.75 61.65 2q0m n ILE 124 Cb 0.32 1.10 -0.03 0.00 -1.74 0.00 0.00 39.64 39.29 2q0m n ILE 124 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2q0m n ARG 125 N -0.31 2.50 -0.20 6.28 -4.01 -0.69 -1.65 116.66 118.60 2q0m n ARG 125 Ca 0.04 0.90 0.00 0.00 -1.04 0.00 0.00 57.85 57.75 2q0m n ARG 125 Cb 0.18 -2.70 0.00 0.00 -3.04 0.00 0.00 32.46 26.90 2q0m n ARG 125 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2q0m n GLY 126 N 3.50 1.34 3.74 2.89 0.00 -1.26 -5.04 105.19 110.36 2q0m n GLY 126 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2q0m n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q0m s ARG 128 N 0.08 3.24 0.00 0.00 3.52 -1.26 -5.11 118.95 119.41 2q0m s ARG 128 Ca 0.36 0.09 0.27 0.00 -0.13 0.00 0.00 55.73 56.32 2q0m s ARG 128 Cb -0.19 -4.15 0.79 0.00 -1.56 0.00 0.00 34.95 29.84 2q0m s ARG 128 CO 0.20 -2.05 1.60 1.28 -0.81 0.00 0.00 175.30 175.52