#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex s GLU 2 N 0.00 4.35 0.31 0.03 2.12 -1.26 -4.97 118.70 119.28 2qex s GLU 2 Ca 0.00 1.64 -0.29 0.00 0.36 0.00 0.00 54.97 56.67 2qex s GLU 2 Cb 0.00 -2.81 -0.11 0.00 0.26 0.00 0.00 34.13 31.47 2qex s GLU 2 CO 0.00 -0.00 1.55 0.00 -0.54 0.00 0.00 175.26 176.26 2qex s ALA 3 N -1.45 3.69 0.17 6.30 0.00 -1.26 -4.93 121.76 124.28 2qex s ALA 3 Ca 0.52 1.55 -0.10 0.00 0.00 0.00 0.00 51.96 53.94 2qex s ALA 3 Cb -0.26 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.26 2qex s ALA 3 CO 0.33 -0.98 1.59 -0.07 0.00 0.00 0.00 175.76 176.63 2qex h LEU 4 N 4.34 1.04 0.00 0.00 3.38 -1.93 -3.48 115.31 118.66 2qex h LEU 4 Ca -0.48 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2qex h LEU 4 Cb 1.23 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2qex h LEU 4 CO 0.75 1.15 0.00 0.61 0.09 0.00 0.00 178.44 181.04 2qex n GLY 5 N -0.25 1.21 3.62 0.83 0.00 -1.26 -4.81 105.19 104.53 2qex n GLY 5 Ca 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 2qex n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qex s ALA 6 N -2.00 -2.08 0.05 4.61 0.00 -1.26 -4.47 121.76 116.61 2qex s ALA 6 Ca 0.00 1.77 -0.17 0.00 0.00 0.00 0.00 51.96 53.55 2qex s ALA 6 Cb 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 22.08 2qex s ALA 6 CO 0.00 -0.35 0.51 -0.51 0.00 0.00 0.00 175.76 175.41 2qex s ASP 7 N -1.35 6.96 -0.08 0.00 -0.00 -0.74 -4.95 116.67 116.50 2qex s ASP 7 Ca 0.07 1.15 0.02 0.00 -0.00 0.00 0.00 52.55 53.79 2qex s ASP 7 Cb -0.01 -2.32 0.01 0.00 -0.00 0.00 0.00 42.92 40.61 2qex s ASP 7 CO -0.05 0.29 -0.13 -0.69 -0.00 0.00 0.00 175.17 174.59 2qex s VAL 8 N -1.12 1.24 -0.40 -1.27 1.01 -1.26 -1.88 120.40 116.72 2qex s VAL 8 Ca 0.28 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 2qex s VAL 8 Cb -0.18 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.07 2qex s VAL 8 CO 0.17 0.38 0.44 -0.89 0.00 0.00 0.00 175.10 175.21 2qex s THR 9 N 0.84 5.08 0.09 3.92 2.01 -1.26 -5.01 115.64 121.30 2qex s THR 9 Ca -0.11 -0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.43 2qex s THR 9 Cb -0.15 -3.99 -0.11 0.00 0.01 0.00 0.00 72.50 68.26 2qex s THR 9 CO 0.02 -0.34 1.87 0.00 -0.69 0.00 0.00 174.62 175.47 2qex n GLN 10 N 5.61 2.73 0.00 4.92 3.00 -1.26 -4.82 117.38 127.56 2qex n GLN 10 Ca -0.07 1.00 0.11 0.00 -0.01 0.00 0.00 57.00 58.03 2qex n GLN 10 Cb 0.48 -2.90 0.02 0.00 0.00 0.00 0.00 30.24 27.84 2qex n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qex n GLY 11 N 4.29 0.08 3.47 1.08 0.00 -1.17 -4.91 105.19 108.03 2qex n GLY 11 Ca 0.19 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 2qex n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qex s LEU 12 N -2.45 2.59 0.44 0.99 1.43 -0.37 -4.94 118.68 116.37 2qex s LEU 12 Ca 0.19 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2qex s LEU 12 Cb 0.18 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 2qex s LEU 12 CO 0.55 0.12 0.06 -1.61 0.23 0.00 0.00 176.35 175.70 2qex s GLU 13 N -2.66 2.00 -0.06 1.70 2.02 -1.26 -0.65 118.70 119.78 2qex s GLU 13 Ca 0.21 -2.22 -0.30 0.00 0.02 0.00 0.00 54.97 52.69 2qex s GLU 13 Cb -0.08 -1.09 -0.04 0.00 0.10 0.00 0.00 34.13 33.02 2qex s GLU 13 CO 0.11 -0.35 1.34 0.21 0.02 0.00 0.00 175.26 176.59 2qex s LYS 14 N -3.80 4.27 0.00 1.61 2.20 -0.74 -2.50 119.74 120.78 2qex s LYS 14 Ca 0.20 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 2qex s LYS 14 Cb 0.04 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2qex s LYS 14 CO 0.11 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 2qex n GLY 15 N 3.62 1.09 3.76 5.54 0.00 0.11 -4.99 105.19 114.33 2qex n GLY 15 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2qex n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qex s SER 16 N -1.86 5.87 -0.23 1.61 0.01 -1.04 -4.69 113.70 113.36 2qex s SER 16 Ca 0.00 2.66 -0.07 0.00 1.31 0.00 0.00 55.95 59.85 2qex s SER 16 Cb 0.00 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 2qex s SER 16 CO 0.00 -1.15 0.07 -0.76 0.41 0.00 0.00 173.24 171.81 2qex s LEU 17 N -2.96 3.53 0.42 2.44 1.43 -1.26 -1.45 118.68 120.82 2qex s LEU 17 Ca 0.64 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.63 2qex s LEU 17 Cb -0.38 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2qex s LEU 17 CO 0.47 0.02 0.11 0.27 0.23 0.00 0.00 176.35 177.45 2qex s ILE 18 N 1.30 0.70 -0.06 -0.59 -4.36 0.52 -4.97 121.20 113.73 2qex s ILE 18 Ca 0.05 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.26 2qex s ILE 18 Cb -0.15 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.16 2qex s ILE 18 CO 0.03 0.00 0.48 -0.89 0.24 0.00 0.00 174.94 174.80 2qex s THR 19 N -3.18 5.08 -0.65 8.37 2.01 -0.50 -1.43 115.64 125.34 2qex s THR 19 Ca 0.23 0.97 -0.20 0.00 0.31 0.00 0.00 61.69 63.00 2qex s THR 19 Cb 0.03 -3.80 0.10 0.00 0.01 0.00 0.00 72.50 68.83 2qex s THR 19 CO 0.13 0.42 0.81 0.00 -0.69 0.00 0.00 174.62 175.30 2qex n ALA 21 N 6.66 5.57 -3.39 0.00 0.00 -0.61 -4.77 120.51 123.97 2qex n ALA 21 Ca -0.04 -3.82 0.03 0.00 0.00 0.00 0.00 53.44 49.61 2qex n ALA 21 Cb 0.44 -3.53 0.01 0.00 0.00 0.00 0.00 19.45 16.37 2qex n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qex n ASP 22 N 5.98 -0.86 -1.20 0.00 5.68 -1.26 -2.06 116.55 122.83 2qex n ASP 22 Ca 0.54 -1.49 -0.05 0.00 -0.50 0.00 0.00 54.79 53.28 2qex n ASP 22 Cb 0.38 1.40 0.20 0.00 -1.14 0.00 0.00 41.12 41.96 2qex n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2qex n ASN 23 N -0.99 2.51 0.19 -1.12 6.94 -1.09 -4.65 115.26 117.06 2qex n ASN 23 Ca -0.02 -3.80 0.05 0.00 -0.02 0.00 0.00 54.58 50.79 2qex n ASN 23 Cb 0.27 -0.64 0.38 0.00 -2.36 0.00 0.00 39.78 37.43 2qex n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 2qex h THR 24 N 1.01 1.06 0.00 5.53 1.35 -1.92 -3.44 112.91 116.50 2qex h THR 24 Ca 0.23 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2qex h THR 24 Cb 1.67 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.86 2qex h THR 24 CO 0.41 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 2qex n GLY 25 N -0.18 1.62 3.79 5.82 0.00 -1.26 -5.01 105.19 109.96 2qex n GLY 25 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2qex n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qex s ALA 26 N -1.69 3.53 -0.15 4.61 0.00 -1.26 -1.94 121.76 124.87 2qex s ALA 26 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.97 2qex s ALA 26 Cb 0.00 -2.73 -0.06 0.00 0.00 0.00 0.00 23.12 20.33 2qex s ALA 26 CO 0.00 0.30 -0.20 0.54 0.00 0.00 0.00 175.76 176.40 2qex n ARG 27 N 2.03 0.33 -5.02 0.00 1.74 -0.48 -4.72 116.66 110.53 2qex n ARG 27 Ca -0.08 0.14 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 2qex n ARG 27 Cb 0.50 -1.06 -0.14 0.00 -1.02 0.00 0.00 32.46 30.74 2qex n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2qex s GLU 28 N -2.32 2.59 0.03 5.56 2.12 -1.20 -1.77 118.70 123.70 2qex s GLU 28 Ca -0.22 -0.78 0.08 0.00 0.36 0.00 0.00 54.97 54.41 2qex s GLU 28 Cb 0.08 -2.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.13 2qex s GLU 28 CO 0.28 0.50 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.76 2qex s LEU 29 N -0.42 2.14 -0.18 2.70 1.43 -0.52 -1.48 118.68 122.36 2qex s LEU 29 Ca 0.04 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2qex s LEU 29 Cb -0.12 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.02 2qex s LEU 29 CO 0.02 0.21 -0.09 -0.75 0.23 0.00 0.00 176.35 175.96 2qex s LYS 30 N -1.04 3.35 0.15 1.70 2.20 0.12 -0.36 119.74 125.86 2qex s LYS 30 Ca 0.09 -0.66 -0.31 0.00 -0.36 0.00 0.00 55.97 54.72 2qex s LYS 30 Cb -0.09 -2.81 -0.08 0.00 -1.51 0.00 0.00 37.83 33.34 2qex s LYS 30 CO 0.01 -0.02 1.34 0.08 -0.36 0.00 0.00 175.35 176.40 2qex s VAL 31 N 0.98 3.32 -0.09 4.02 1.01 -0.53 -1.07 120.40 128.04 2qex s VAL 31 Ca -0.01 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.97 2qex s VAL 31 Cb -0.15 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2qex s VAL 31 CO -0.01 0.11 -0.09 -0.38 0.00 0.00 0.00 175.10 174.73 2qex n ILE 32 N 3.38 0.51 -3.77 2.22 5.41 0.51 -0.71 119.36 126.92 2qex n ILE 32 Ca 0.09 -0.18 -0.10 0.00 1.00 0.00 0.00 62.75 63.56 2qex n ILE 32 Cb 0.43 -0.99 -0.05 0.00 -0.71 0.00 0.00 39.64 38.32 2qex n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2qex s SER 33 N -5.07 -0.17 -0.17 4.38 0.01 -1.10 -4.81 113.70 106.77 2qex s SER 33 Ca -0.12 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.61 2qex s SER 33 Cb 0.03 0.51 0.01 0.00 0.21 0.00 0.00 66.02 66.79 2qex s SER 33 CO 0.20 -0.95 -0.19 -0.69 0.41 0.00 0.00 173.24 172.01 2qex s VAL 34 N -3.88 2.16 0.10 3.43 1.01 -1.26 -0.28 120.40 121.68 2qex s VAL 34 Ca 0.09 -0.92 -0.32 0.00 0.00 0.00 0.00 61.98 60.84 2qex s VAL 34 Cb 0.01 -1.90 -0.11 0.00 0.00 0.00 0.00 36.38 34.38 2qex s VAL 34 CO -0.05 0.54 1.82 1.57 0.00 0.00 0.00 175.10 178.98 2qex n HIS 35 N 4.46 2.55 -0.87 5.22 -0.00 -0.09 -2.18 115.22 124.31 2qex n HIS 35 Ca -0.20 -0.10 0.00 0.00 0.46 0.00 0.00 57.72 57.87 2qex n HIS 35 Cb 0.51 -2.71 0.00 0.00 -0.12 0.00 0.00 29.99 27.67 2qex n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qex n GLY 36 N 4.18 0.93 3.88 1.57 0.00 -1.26 -4.78 105.19 109.70 2qex n GLY 36 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2qex n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qex s TYR 37 N -3.72 3.52 -0.28 1.61 5.04 -0.93 -5.06 117.35 117.53 2qex s TYR 37 Ca 0.00 0.76 -0.01 0.00 -2.44 0.00 0.00 57.07 55.37 2qex s TYR 37 Cb 0.00 -2.15 0.17 0.00 0.35 0.00 0.00 41.96 40.33 2qex s TYR 37 CO 0.00 0.44 0.52 -1.54 -1.34 0.00 0.00 175.55 173.63 2qex s SER 38 N -2.07 -0.79 0.00 4.32 1.04 -1.26 -4.94 113.70 109.99 2qex s SER 38 Ca 0.38 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.42 2qex s SER 38 Cb -0.13 1.78 0.00 0.00 0.10 0.00 0.00 66.02 67.77 2qex s SER 38 CO 0.21 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2qex n GLY 39 N 5.41 0.84 3.26 7.32 0.00 -1.26 -5.14 105.19 115.61 2qex n GLY 39 Ca -0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 2qex n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qex s THR 40 N 1.09 0.07 0.11 2.61 -1.32 -1.26 -5.09 115.64 111.86 2qex s THR 40 Ca 0.00 -1.67 -0.36 0.00 -1.21 0.00 0.00 61.69 58.46 2qex s THR 40 Cb 0.00 -2.00 -0.16 0.00 -1.51 0.00 0.00 72.50 68.82 2qex s THR 40 CO 0.00 -0.33 1.32 1.17 -2.21 0.00 0.00 174.62 174.58 2qex n LYS 41 N -0.18 1.24 0.00 7.08 4.81 -1.26 -1.59 118.16 128.26 2qex n LYS 41 Ca -0.05 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 2qex n LYS 41 Cb 0.63 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.62 2qex n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2qex n ASN 42 N 2.47 0.00 -4.71 3.14 3.02 -1.26 -4.98 115.26 112.94 2qex n ASN 42 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 2qex n ASN 42 Cb 0.21 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 2qex n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2qex s ARG 43 N 0.00 4.47 -0.27 3.52 3.52 -0.62 -5.00 118.95 124.57 2qex s ARG 43 Ca 0.00 1.66 -0.29 0.00 -0.13 0.00 0.00 55.73 56.97 2qex s ARG 43 Cb 0.00 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 2qex s ARG 43 CO 0.00 -0.21 1.08 -0.51 -0.81 0.00 0.00 175.30 174.85 2qex s LEU 44 N 1.10 4.03 0.15 -0.88 1.43 -1.26 -4.72 118.68 118.52 2qex s LEU 44 Ca 0.57 1.25 -0.34 0.00 -1.03 0.00 0.00 54.13 54.58 2qex s LEU 44 Cb -0.27 -3.54 -0.16 0.00 0.03 0.00 0.00 46.19 42.25 2qex s LEU 44 CO 0.28 -0.78 1.25 -0.81 0.23 0.00 0.00 176.35 176.52 2qex n PRO 45 N 6.61 1.25 -4.32 1.29 -0.04 -1.26 -4.82 135.00 133.72 2qex n PRO 45 Ca 0.12 0.45 -0.30 0.00 -0.04 0.00 0.00 63.50 63.73 2qex n PRO 45 Cb 0.46 -2.01 -0.11 0.00 -0.04 0.00 0.00 33.50 31.80 2qex n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2qex s LYS 46 N -0.05 1.95 0.08 0.54 -2.85 -1.26 -1.79 119.74 116.36 2qex s LYS 46 Ca 0.77 -1.09 0.03 0.00 -1.00 0.00 0.00 55.97 54.67 2qex s LYS 46 Cb -0.86 -2.20 -0.03 0.00 -2.06 0.00 0.00 37.83 32.67 2qex s LYS 46 CO 0.50 0.50 -0.08 0.00 0.10 0.00 0.00 175.35 176.36 2qex s ALA 47 N -1.14 0.91 0.00 0.59 0.00 0.17 -4.92 121.76 117.37 2qex s ALA 47 Ca 0.19 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2qex s ALA 47 Cb -0.11 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2qex s ALA 47 CO 0.11 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.17 2qex n GLY 48 N 0.59 3.11 3.73 0.00 0.00 -1.26 -1.23 105.19 110.12 2qex n GLY 48 Ca -0.16 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 2qex n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qex n LEU 49 N 0.00 4.00 0.00 0.99 4.77 -1.26 -2.22 117.00 123.28 2qex n LEU 49 Ca 0.00 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.16 2qex n LEU 49 Cb 0.00 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.55 2qex n LEU 49 CO 0.00 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 2qex n GLY 50 N 1.32 1.27 3.86 -0.72 0.00 -1.06 -5.01 105.19 104.85 2qex n GLY 50 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2qex n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qex s ASP 51 N -3.05 6.64 -0.24 1.61 1.11 -0.94 -4.89 116.67 116.90 2qex s ASP 51 Ca 0.00 1.22 -0.08 0.00 0.18 0.00 0.00 52.55 53.87 2qex s ASP 51 Cb 0.00 -2.35 -0.03 0.00 1.07 0.00 0.00 42.92 41.60 2qex s ASP 51 CO 0.00 -0.33 0.08 -0.75 1.18 0.00 0.00 175.17 175.36 2qex s LYS 52 N -3.49 3.73 0.21 8.23 2.20 -1.26 -2.15 119.74 127.22 2qex s LYS 52 Ca 0.53 -0.44 0.11 0.00 -0.36 0.00 0.00 55.97 55.81 2qex s LYS 52 Cb -0.10 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 2qex s LYS 52 CO 0.25 -0.12 -0.22 0.96 -0.36 0.00 0.00 175.35 175.86 2qex s ILE 53 N 1.45 2.33 -0.08 5.43 -4.36 -0.22 -0.91 121.20 124.83 2qex s ILE 53 Ca 0.06 -2.12 -0.14 0.00 -0.26 0.00 0.00 60.65 58.18 2qex s ILE 53 Cb -0.15 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.37 2qex s ILE 53 CO 0.04 -0.22 0.35 -0.89 0.24 0.00 0.00 174.94 174.46 2qex s THR 54 N -1.95 5.20 0.04 8.37 2.01 0.62 -0.90 115.64 129.03 2qex s THR 54 Ca 0.23 0.68 -0.01 0.00 0.31 0.00 0.00 61.69 62.90 2qex s THR 54 Cb -0.07 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 2qex s THR 54 CO 0.11 0.49 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.82 2qex s VAL 55 N -0.38 0.18 0.03 3.82 1.01 0.42 -0.36 120.40 125.13 2qex s VAL 55 Ca 0.21 -1.51 0.08 0.00 0.00 0.00 0.00 61.98 60.76 2qex s VAL 55 Cb -0.15 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2qex s VAL 55 CO 0.09 -0.83 -0.23 -0.94 0.00 0.00 0.00 175.10 173.19 2qex s SER 56 N -2.44 3.40 -0.36 3.32 1.04 -0.24 -1.25 113.70 117.18 2qex s SER 56 Ca -0.01 -0.50 -0.23 0.00 0.48 0.00 0.00 55.95 55.70 2qex s SER 56 Cb 0.02 -0.43 0.01 0.00 0.10 0.00 0.00 66.02 65.72 2qex s SER 56 CO -0.07 0.27 0.78 -0.69 0.98 0.00 0.00 173.24 174.52 2qex s VAL 57 N -0.81 4.73 -0.02 5.02 1.01 -1.06 -0.71 120.40 128.56 2qex s VAL 57 Ca 0.12 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 62.89 2qex s VAL 57 Cb -0.10 -4.21 -0.30 0.00 0.00 0.00 0.00 36.38 31.76 2qex s VAL 57 CO 0.02 -0.44 0.77 0.74 0.00 0.00 0.00 175.10 176.19 2qex h THR 58 N 5.76 1.04 -3.96 3.92 2.02 -1.61 -2.55 112.91 117.52 2qex h THR 58 Ca -0.25 -2.63 -0.21 0.00 0.77 0.00 0.00 66.41 64.09 2qex h THR 58 Cb 1.09 2.79 -0.18 0.00 -1.74 0.00 0.00 68.15 70.11 2qex h THR 58 CO 0.91 0.84 -0.71 -0.54 0.37 0.00 0.00 175.52 176.39 2qex s LYS 59 N -2.59 0.61 0.00 6.66 1.02 -1.13 -4.94 119.74 119.38 2qex s LYS 59 Ca -0.13 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 54.85 2qex s LYS 59 Cb 0.06 -0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.25 2qex s LYS 59 CO 0.86 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.69 2qex n GLY 60 N 0.74 0.94 3.75 -3.33 0.00 -1.26 -1.38 105.19 104.65 2qex n GLY 60 Ca -0.18 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 2qex n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qex s THR 61 N -2.55 2.35 0.38 2.61 -4.23 -0.82 -4.79 115.64 108.60 2qex s THR 61 Ca 0.00 0.24 0.17 0.00 -1.18 0.00 0.00 61.69 60.92 2qex s THR 61 Cb 0.00 -3.11 0.37 0.00 1.34 0.00 0.00 72.50 71.10 2qex s THR 61 CO 0.00 -0.02 1.75 -0.65 -0.54 0.00 0.00 174.62 175.16 2qex h PRO 62 N 1.20 0.42 -0.13 3.99 0.11 -1.95 -1.92 132.00 133.72 2qex h PRO 62 Ca -0.51 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.42 2qex h PRO 62 Cb 1.30 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.32 2qex h PRO 62 CO 0.56 0.28 -0.53 0.93 -0.21 0.00 0.00 178.00 179.03 2qex h GLU 63 N 0.43 0.59 -0.03 1.05 4.39 -1.99 -3.29 114.58 115.73 2qex h GLU 63 Ca 0.62 -0.46 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 2qex h GLU 63 Cb 1.47 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.20 2qex h GLU 63 CO -0.35 1.08 -0.49 0.52 -1.16 0.00 0.00 179.01 178.61 2qex h MET 64 N 0.23 0.08 -6.98 2.33 2.86 -1.74 -3.45 114.93 108.25 2qex h MET 64 Ca -0.03 -0.04 -0.56 0.00 -2.06 0.00 0.00 59.70 57.01 2qex h MET 64 Cb 1.17 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.97 2qex h MET 64 CO 0.11 0.55 0.52 0.54 1.06 0.00 0.00 176.91 179.69 2qex n ARG 65 N -3.95 1.60 -0.69 1.72 1.74 -0.79 -2.70 116.66 113.58 2qex n ARG 65 Ca -0.02 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 2qex n ARG 65 Cb 0.52 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 2qex n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qex n ARG 66 N -0.87 0.00 -2.71 5.56 1.74 -0.96 -4.97 116.66 114.45 2qex n ARG 66 Ca 0.10 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.78 2qex n ARG 66 Cb 0.44 -3.52 -0.05 0.00 -1.02 0.00 0.00 32.46 28.31 2qex n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qex s GLN 67 N -0.50 4.76 -0.47 5.56 -0.21 -1.10 -4.79 119.66 122.90 2qex s GLN 67 Ca 0.00 1.51 -0.17 0.00 0.02 0.00 0.00 55.36 56.72 2qex s GLN 67 Cb 0.00 -3.31 0.05 0.00 1.00 0.00 0.00 33.01 30.75 2qex s GLN 67 CO 0.00 0.34 0.50 0.08 -2.12 0.00 0.00 175.29 174.09 2qex s VAL 68 N -0.62 5.05 0.25 1.09 1.01 -1.26 -2.58 120.40 123.33 2qex s VAL 68 Ca 0.44 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2qex s VAL 68 Cb -0.26 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 2qex s VAL 68 CO 0.32 -0.63 -0.01 -0.76 0.00 0.00 0.00 175.10 174.02 2qex s LEU 69 N 2.18 2.26 0.29 3.92 1.43 -0.38 -4.98 118.68 123.41 2qex s LEU 69 Ca 0.11 -1.22 -0.01 0.00 -1.03 0.00 0.00 54.13 51.97 2qex s LEU 69 Cb -0.20 -0.36 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 2qex s LEU 69 CO 0.11 -0.48 0.50 -1.61 0.23 0.00 0.00 176.35 175.10 2qex s GLU 70 N -3.83 3.53 0.25 1.70 2.02 -1.26 -0.44 118.70 120.68 2qex s GLU 70 Ca 0.29 -0.25 -0.18 0.00 0.02 0.00 0.00 54.97 54.85 2qex s GLU 70 Cb 0.05 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.59 2qex s GLU 70 CO 0.10 0.25 0.60 0.00 0.02 0.00 0.00 175.26 176.22 2qex s ALA 71 N -2.12 -0.88 -0.06 5.21 0.00 -0.08 -1.09 121.76 122.75 2qex s ALA 71 Ca 0.40 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.96 2qex s ALA 71 Cb -0.10 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.94 2qex s ALA 71 CO 0.32 -0.93 -0.17 0.08 0.00 0.00 0.00 175.76 175.06 2qex s VAL 72 N -3.93 1.50 -0.03 0.00 1.01 -0.47 -1.05 120.40 117.43 2qex s VAL 72 Ca 0.14 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2qex s VAL 72 Cb -0.03 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2qex s VAL 72 CO 0.05 0.43 1.16 -0.69 0.00 0.00 0.00 175.10 176.05 2qex s VAL 73 N 0.29 4.31 -0.10 2.92 1.01 -0.91 -0.77 120.40 127.13 2qex s VAL 73 Ca -0.10 1.64 0.07 0.00 0.00 0.00 0.00 61.98 63.58 2qex s VAL 73 Cb -0.14 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 2qex s VAL 73 CO 0.04 0.04 -0.00 0.52 0.00 0.00 0.00 175.10 175.70 2qex n VAL 74 N 4.37 0.67 -3.89 2.92 0.31 0.74 -2.56 118.33 120.89 2qex n VAL 74 Ca 0.10 -0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 63.95 2qex n VAL 74 Cb 0.47 -0.79 -0.12 0.00 -0.91 0.00 0.00 33.84 32.48 2qex n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qex s ARG 75 N -2.24 0.21 -0.03 5.55 0.52 -0.96 -3.56 118.95 118.44 2qex s ARG 75 Ca -0.08 -0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 54.81 2qex s ARG 75 Cb 0.03 0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.60 2qex s ARG 75 CO 0.36 -0.04 0.23 1.14 0.02 0.00 0.00 175.30 177.02 2qex s GLN 76 N -0.67 0.50 0.20 3.54 -2.07 -1.20 -0.95 119.66 119.01 2qex s GLN 76 Ca -0.07 -0.11 -0.04 0.00 -1.82 0.00 0.00 55.36 53.31 2qex s GLN 76 Cb -0.05 0.22 0.14 0.00 -1.09 0.00 0.00 33.01 32.23 2qex s GLN 76 CO -0.00 -0.12 1.55 0.00 -1.32 0.00 0.00 175.29 175.40 2qex h ARG 77 N 4.53 0.64 -6.68 9.60 3.08 -1.78 -2.66 114.38 121.12 2qex h ARG 77 Ca -0.29 -0.35 -0.53 0.00 0.07 0.00 0.00 59.98 58.89 2qex h ARG 77 Cb 1.19 0.01 0.04 0.00 0.08 0.00 0.00 29.97 31.29 2qex h ARG 77 CO 0.39 0.95 0.73 0.21 -1.07 0.00 0.00 179.97 181.18 2qex s LYS 78 N -4.23 4.31 0.62 0.04 2.47 -1.26 -4.39 119.74 117.30 2qex s LYS 78 Ca -0.08 2.19 -0.19 0.00 -1.56 0.00 0.00 55.97 56.33 2qex s LYS 78 Cb 0.12 -3.16 -0.02 0.00 -1.46 0.00 0.00 37.83 33.30 2qex s LYS 78 CO 0.84 -0.39 1.27 -2.14 0.16 0.00 0.00 175.35 175.09 2qex s PRO 79 N 0.12 2.76 0.21 4.03 0.02 -1.26 -4.83 135.00 136.04 2qex s PRO 79 Ca 0.60 2.00 0.08 0.00 0.02 0.00 0.00 61.00 63.70 2qex s PRO 79 Cb -0.39 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.16 2qex s PRO 79 CO 0.38 -1.42 -0.15 0.96 -0.33 0.00 0.00 177.00 176.44 2qex s ILE 80 N -1.45 1.78 -0.16 2.83 -4.36 -0.80 -4.11 121.20 114.94 2qex s ILE 80 Ca 0.80 -2.20 -0.03 0.00 -0.26 0.00 0.00 60.65 58.96 2qex s ILE 80 Cb -0.35 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.29 2qex s ILE 80 CO 0.38 -0.57 -0.06 -0.60 0.24 0.00 0.00 174.94 174.34 2qex s ARG 81 N -3.57 3.56 0.51 0.37 3.52 -0.79 -1.64 118.95 120.91 2qex s ARG 81 Ca 0.22 -0.57 -0.05 0.00 -0.13 0.00 0.00 55.73 55.20 2qex s ARG 81 Cb -0.01 -2.87 -0.02 0.00 -1.56 0.00 0.00 34.95 30.49 2qex s ARG 81 CO 0.07 0.17 0.81 1.03 -0.81 0.00 0.00 175.30 176.57 2qex s ARG 82 N 0.54 3.34 0.58 5.12 1.81 -0.66 -1.79 118.95 127.88 2qex s ARG 82 Ca -0.04 0.09 0.32 0.00 -1.72 0.00 0.00 55.73 54.38 2qex s ARG 82 Cb -0.15 -2.36 1.77 0.00 -0.45 0.00 0.00 34.95 33.76 2qex s ARG 82 CO 0.03 -0.35 1.98 -1.35 -0.68 0.00 0.00 175.30 174.94 2qex h PRO 83 N 0.13 0.00 -0.48 3.54 0.11 -1.89 -0.81 132.00 132.60 2qex h PRO 83 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qex h PRO 83 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2qex h PRO 83 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 2qex n ASP 84 N -2.78 2.95 0.00 -2.05 5.75 -1.26 -4.95 116.55 114.21 2qex n ASP 84 Ca -0.02 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2qex n ASP 84 Cb 0.21 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 2qex n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qex n GLY 85 N 1.39 2.81 3.68 6.12 0.00 -0.31 -5.04 105.19 113.85 2qex n GLY 85 Ca 0.19 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2qex n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qex n THR 86 N 0.00 2.07 -3.82 2.61 -1.04 -1.26 -4.62 114.28 108.23 2qex n THR 86 Ca 0.00 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.20 2qex n THR 86 Cb 0.00 -1.47 -0.04 0.00 -1.82 0.00 0.00 70.33 67.00 2qex n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2qex s ARG 87 N -1.87 3.51 -0.03 -2.82 1.81 -1.26 -1.65 118.95 116.64 2qex s ARG 87 Ca 0.57 -0.30 0.01 0.00 -1.72 0.00 0.00 55.73 54.28 2qex s ARG 87 Cb -0.58 -2.96 0.02 0.00 -0.45 0.00 0.00 34.95 30.98 2qex s ARG 87 CO 0.61 0.54 -0.03 0.08 -0.68 0.00 0.00 175.30 175.83 2qex s VAL 88 N -1.59 0.37 0.04 3.52 1.01 -0.65 -4.95 120.40 118.15 2qex s VAL 88 Ca 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 2qex s VAL 88 Cb -0.13 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 2qex s VAL 88 CO 0.27 0.17 -0.04 -1.59 0.00 0.00 0.00 175.10 173.92 2qex s LYS 89 N 0.78 0.49 0.49 2.72 -2.85 -1.26 -1.90 119.74 118.21 2qex s LYS 89 Ca -0.09 -0.93 0.07 0.00 -1.00 0.00 0.00 55.97 54.02 2qex s LYS 89 Cb -0.12 0.11 0.02 0.00 -2.06 0.00 0.00 37.83 35.78 2qex s LYS 89 CO -0.01 -0.07 0.46 -0.06 0.10 0.00 0.00 175.35 175.78 2qex s PHE 90 N -2.66 2.11 -0.02 1.78 0.40 -1.00 -5.04 117.98 113.55 2qex s PHE 90 Ca -0.04 -0.65 0.11 0.00 -0.60 0.00 0.00 56.93 55.75 2qex s PHE 90 Cb -0.01 -2.10 -0.06 0.00 0.51 0.00 0.00 43.02 41.36 2qex s PHE 90 CO -0.05 -0.43 1.37 1.49 0.70 0.00 0.00 175.22 178.30 2qex h GLU 91 N 0.78 0.00 0.00 0.44 4.22 -1.94 -3.40 114.58 114.67 2qex h GLU 91 Ca -0.38 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 58.89 2qex h GLU 91 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 2qex h GLU 91 CO 0.54 0.74 -0.06 -0.40 -2.18 0.00 0.00 179.01 177.65 2qex n ASP 92 N -3.29 -1.07 -4.49 1.04 5.75 -1.26 -4.94 116.55 108.28 2qex n ASP 92 Ca 0.01 -2.32 -0.34 0.00 -0.01 0.00 0.00 54.79 52.13 2qex n ASP 92 Cb 0.83 1.95 -0.12 0.00 -1.03 0.00 0.00 41.12 42.75 2qex n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2qex s ASN 93 N -2.53 4.94 0.01 -1.12 0.01 -1.26 -3.25 114.94 111.74 2qex s ASN 93 Ca 0.19 -0.13 -0.12 0.00 -0.71 0.00 0.00 52.86 52.09 2qex s ASN 93 Cb -0.01 -1.83 0.01 0.00 0.41 0.00 0.00 41.25 39.83 2qex s ASN 93 CO 0.14 0.12 0.25 0.00 -1.51 0.00 0.00 177.10 176.10 2qex s ALA 94 N 0.67 -0.58 0.04 0.60 0.00 -0.13 -1.42 121.76 120.96 2qex s ALA 94 Ca -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 2qex s ALA 94 Cb -0.14 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 2qex s ALA 94 CO 0.02 -0.31 0.06 0.00 0.00 0.00 0.00 175.76 175.53 2qex s ALA 95 N -1.90 0.09 -0.13 0.00 0.00 -0.02 -0.19 121.76 119.61 2qex s ALA 95 Ca -0.10 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.14 2qex s ALA 95 Cb -0.04 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 2qex s ALA 95 CO 0.00 -0.33 -0.15 0.08 0.00 0.00 0.00 175.76 175.36 2qex s VAL 96 N -2.92 2.79 0.31 0.00 1.01 0.05 -1.57 120.40 120.07 2qex s VAL 96 Ca -0.02 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 2qex s VAL 96 Cb 0.01 -2.16 -0.11 0.00 0.00 0.00 0.00 36.38 34.12 2qex s VAL 96 CO -0.06 0.53 1.46 -0.63 0.00 0.00 0.00 175.10 176.40 2qex s ILE 97 N 0.50 2.35 0.06 2.22 1.01 -1.26 -1.36 121.20 124.71 2qex s ILE 97 Ca -0.10 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.87 2qex s ILE 97 Cb -0.16 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2qex s ILE 97 CO 0.05 0.06 -0.04 -0.69 0.00 0.00 0.00 174.94 174.32 2qex s VAL 98 N -0.57 0.33 0.00 2.92 1.01 -0.25 -1.66 120.40 122.19 2qex s VAL 98 Ca 0.56 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2qex s VAL 98 Cb -0.44 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.67 2qex s VAL 98 CO 0.52 -0.83 0.00 -0.90 0.00 0.00 0.00 175.10 173.89 2qex n ASP 99 N 0.44 0.00 -0.24 3.32 5.75 -0.94 -4.00 116.55 120.89 2qex n ASP 99 Ca -0.16 -0.27 -0.01 0.00 -0.01 0.00 0.00 54.79 54.34 2qex n ASP 99 Cb 0.59 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.89 2qex n ASP 99 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2qex h GLU 100 N 0.00 1.04 -0.52 0.11 5.08 -1.99 -2.89 114.58 115.41 2qex h GLU 100 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2qex h GLU 100 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2qex h GLU 100 CO 0.00 0.73 0.00 0.09 -1.00 0.00 0.00 179.01 178.83 2qex n ASN 101 N -4.38 2.80 -0.68 1.42 3.02 -1.26 -4.93 115.26 111.24 2qex n ASN 101 Ca 0.08 -2.07 -0.09 0.00 -0.03 0.00 0.00 54.58 52.48 2qex n ASN 101 Cb 0.06 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 2qex n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qex n GLU 102 N 0.88 -0.60 -3.53 3.52 1.02 -1.09 -5.02 120.64 115.82 2qex n GLU 102 Ca 0.17 0.77 -0.37 0.00 -0.02 0.00 0.00 57.16 57.71 2qex n GLU 102 Cb 0.47 -4.64 -0.07 0.00 -0.02 0.00 0.00 31.44 27.18 2qex n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qex s ASP 103 N -2.89 6.49 0.20 1.62 1.01 -1.26 -4.56 116.67 117.28 2qex s ASP 103 Ca 0.00 0.57 -0.32 0.00 0.71 0.00 0.00 52.55 53.51 2qex s ASP 103 Cb 0.00 -2.19 -0.14 0.00 1.01 0.00 0.00 42.92 41.59 2qex s ASP 103 CO 0.00 0.12 1.37 -0.81 0.21 0.00 0.00 175.17 176.06 2qex n PRO 104 N 3.37 1.77 0.08 8.23 -0.04 -1.26 -2.20 135.00 144.94 2qex n PRO 104 Ca -0.12 0.63 -0.06 0.00 -0.04 0.00 0.00 63.50 63.92 2qex n PRO 104 Cb 0.52 -2.27 0.11 0.00 -0.04 0.00 0.00 33.50 31.82 2qex n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2qex h ARG 105 N 4.28 0.27 0.00 0.54 2.43 -1.64 -3.46 114.38 116.80 2qex h ARG 105 Ca -0.45 -0.19 -0.27 0.00 -0.81 0.00 0.00 59.98 58.26 2qex h ARG 105 Cb 1.29 0.03 0.08 0.00 -0.42 0.00 0.00 29.97 30.95 2qex h ARG 105 CO 0.76 0.80 0.17 0.41 -1.51 0.00 0.00 179.97 180.60 2qex n GLY 106 N 0.30 -0.38 0.08 2.80 0.00 -1.26 -4.95 105.19 101.78 2qex n GLY 106 Ca -0.03 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 2qex n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qex n THR 107 N -2.71 1.08 -4.03 2.61 -1.04 -1.26 -5.01 114.28 103.92 2qex n THR 107 Ca 0.10 -0.70 -0.12 0.00 -2.04 0.00 0.00 64.05 61.29 2qex n THR 107 Cb 0.35 -0.49 -0.12 0.00 -1.82 0.00 0.00 70.33 68.25 2qex n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2qex s GLU 108 N -2.49 0.39 0.00 -2.82 2.02 -1.26 -5.05 118.70 109.50 2qex s GLU 108 Ca -0.08 -0.56 -0.05 0.00 0.02 0.00 0.00 54.97 54.29 2qex s GLU 108 Cb 0.06 -0.14 -0.05 0.00 0.10 0.00 0.00 34.13 34.10 2qex s GLU 108 CO 0.71 0.02 0.25 -0.51 0.02 0.00 0.00 175.26 175.74 2qex s LEU 109 N -1.21 4.37 -0.31 1.80 1.43 -1.26 -2.66 118.68 120.84 2qex s LEU 109 Ca -0.10 0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 53.45 2qex s LEU 109 Cb -0.08 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.50 2qex s LEU 109 CO -0.00 0.25 0.07 -0.54 0.23 0.00 0.00 176.35 176.36 2qex s LYS 110 N -1.82 2.78 0.00 1.70 1.02 -0.87 -4.75 119.74 117.80 2qex s LYS 110 Ca 0.28 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 55.21 2qex s LYS 110 Cb -0.13 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2qex s LYS 110 CO 0.17 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 2qex n GLY 111 N 4.80 -4.17 3.64 -3.33 0.00 -1.26 -4.76 105.19 100.11 2qex n GLY 111 Ca -0.14 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.51 2qex n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qex s PRO 112 N -0.95 -0.40 0.07 1.61 0.04 -1.26 -4.36 135.00 129.74 2qex s PRO 112 Ca 0.00 0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.14 2qex s PRO 112 Cb 0.00 -1.67 0.01 0.00 0.04 0.00 0.00 34.50 32.88 2qex s PRO 112 CO 0.00 -3.22 0.23 0.42 0.04 0.00 0.00 177.00 174.47 2qex s ILE 113 N -3.00 0.11 -0.02 0.56 1.01 -0.08 -4.88 121.20 114.90 2qex s ILE 113 Ca 0.68 -0.93 -0.24 0.00 0.00 0.00 0.00 60.65 60.16 2qex s ILE 113 Cb -0.14 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2qex s ILE 113 CO 0.57 -0.51 0.72 0.00 0.00 0.00 0.00 174.94 175.71 2qex s ALA 114 N -3.17 3.36 0.54 9.38 0.00 -1.23 -0.25 121.76 130.39 2qex s ALA 114 Ca -0.00 0.18 0.30 0.00 0.00 0.00 0.00 51.96 52.44 2qex s ALA 114 Cb 0.02 -2.95 1.46 0.00 0.00 0.00 0.00 23.12 21.65 2qex s ALA 114 CO -0.07 -0.01 1.92 0.07 0.00 0.00 0.00 175.76 177.66 2qex h ARG 115 N 6.23 0.00 0.00 0.00 0.11 -1.81 -0.73 114.38 118.18 2qex h ARG 115 Ca -0.43 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.63 2qex h ARG 115 Cb 1.20 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 2qex h ARG 115 CO 0.73 0.00 -0.10 0.93 0.10 0.00 0.00 179.97 181.63 2qex h GLU 116 N 0.00 0.00 0.00 0.08 3.07 -1.88 -2.44 114.58 113.41 2qex h GLU 116 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 2qex h GLU 116 Cb 1.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 2qex h GLU 116 CO -0.00 0.10 0.00 0.28 -1.40 0.00 0.00 179.01 177.98 2qex h VAL 117 N 0.00 0.00 -0.17 3.13 2.07 -1.48 -2.93 116.25 116.87 2qex h VAL 117 Ca -0.00 -0.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.85 2qex h VAL 117 Cb 0.20 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2qex h VAL 117 CO 0.01 0.00 -0.59 0.00 0.02 0.00 0.00 177.57 177.01 2qex h ALA 118 N 2.02 0.64 0.00 1.67 0.00 -1.58 0.08 119.26 122.07 2qex h ALA 118 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2qex h ALA 118 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2qex h ALA 118 CO 0.00 0.70 0.00 1.96 0.00 0.00 0.00 179.25 181.91 2qex h GLN 119 N 0.43 0.00 0.00 0.00 4.20 -1.64 -3.25 115.11 114.84 2qex h GLN 119 Ca -0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 2qex h GLN 119 Cb 1.15 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 2qex h GLN 119 CO 0.11 0.00 -1.85 0.54 -0.67 0.00 0.00 178.83 176.96 2qex n ARG 120 N -2.73 0.33 -3.91 1.46 1.74 -1.12 -4.89 116.66 107.53 2qex n ARG 120 Ca -0.01 0.14 -0.30 0.00 -0.77 0.00 0.00 57.85 56.92 2qex n ARG 120 Cb 0.15 -1.05 -0.13 0.00 -1.02 0.00 0.00 32.46 30.41 2qex n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qex s PHE 121 N -2.28 3.37 0.27 -1.55 0.40 -0.00 -4.95 117.98 113.23 2qex s PHE 121 Ca -0.21 -3.23 -0.03 0.00 -0.60 0.00 0.00 56.93 52.86 2qex s PHE 121 Cb 0.08 -2.80 0.34 0.00 0.51 0.00 0.00 43.02 41.15 2qex s PHE 121 CO 0.27 -0.66 1.84 0.78 0.70 0.00 0.00 175.22 178.15 2qex h GLY 122 N 6.05 1.06 2.00 4.36 0.00 -1.77 -1.58 103.07 113.19 2qex h GLY 122 Ca 0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 2qex h GLY 122 CO 0.71 0.52 -0.14 1.48 0.00 0.00 0.00 176.54 179.11 2qex h SER 123 N 0.97 0.00 0.04 0.19 4.64 -1.91 0.46 113.55 117.93 2qex h SER 123 Ca 0.23 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.46 2qex h SER 123 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2qex h SER 123 CO -0.02 0.14 -0.41 0.58 -0.87 0.00 0.00 176.83 176.24 2qex h VAL 124 N 0.00 1.59 -0.78 0.95 2.07 -1.72 -3.33 116.25 115.03 2qex h VAL 124 Ca -0.00 -2.38 -0.01 0.00 0.82 0.00 0.00 66.70 65.12 2qex h VAL 124 Cb 0.63 3.19 -0.04 0.00 -1.52 0.00 0.00 31.29 33.55 2qex h VAL 124 CO 0.02 0.61 0.43 0.00 0.02 0.00 0.00 177.57 178.65 2qex h ALA 125 N -0.03 1.28 0.00 1.67 0.00 -1.13 -2.34 119.26 118.71 2qex h ALA 125 Ca -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2qex h ALA 125 Cb 1.24 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2qex h ALA 125 CO 0.02 0.58 0.00 -1.13 0.00 0.00 0.00 179.25 178.73 2qex n SER 126 N -4.35 2.27 0.00 0.00 3.41 0.16 -0.38 113.62 114.73 2qex n SER 126 Ca 0.08 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 2qex n SER 126 Cb 0.10 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2qex n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qex n ALA 127 N 0.71 0.00 -1.77 7.33 0.00 -0.88 -4.99 120.51 120.90 2qex n ALA 127 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2qex n ALA 127 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 2qex n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qex s ALA 128 N 0.00 2.99 -0.18 0.00 0.00 0.49 -4.12 121.76 120.94 2qex s ALA 128 Ca 0.00 0.88 -0.08 0.00 0.00 0.00 0.00 51.96 52.76 2qex s ALA 128 Cb 0.00 -3.36 -0.21 0.00 0.00 0.00 0.00 23.12 19.55 2qex s ALA 128 CO 0.00 -0.57 0.13 2.41 0.00 0.00 0.00 175.76 177.73 2qex n THR 129 N -0.43 1.65 -4.00 0.00 -1.04 -1.26 -4.91 114.28 104.29 2qex n THR 129 Ca 0.07 -0.49 -0.19 0.00 -2.04 0.00 0.00 64.05 61.40 2qex n THR 129 Cb 0.48 -1.74 -0.16 0.00 -1.82 0.00 0.00 70.33 67.09 2qex n THR 129 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2qex s MET 130 N -2.51 0.57 -0.31 -2.82 -1.94 -1.26 -5.08 119.30 105.95 2qex s MET 130 Ca -0.28 0.01 0.03 0.00 -1.71 0.00 0.00 55.69 53.74 2qex s MET 130 Cb 0.08 -0.71 0.09 0.00 2.01 0.00 0.00 34.83 36.29 2qex s MET 130 CO 0.67 -0.14 0.01 0.42 -0.01 0.00 0.00 175.02 175.97 2qex s ILE 131 N 1.15 2.05 -2.99 2.53 1.01 -1.26 -0.91 121.20 122.78 2qex s ILE 131 Ca -0.08 -2.01 0.24 0.00 0.00 0.00 0.00 60.65 58.80 2qex s ILE 131 Cb -0.14 -2.43 0.19 0.00 0.01 0.00 0.00 42.46 40.10 2qex s ILE 131 CO -0.01 -0.45 1.27 0.52 0.00 0.00 0.00 174.94 176.26