#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s GLU 2 N 0.00 3.98 0.21 0.03 2.12 -1.26 -4.96 118.70 118.82 2qa4 s GLU 2 Ca 0.00 1.64 -0.32 0.00 0.36 0.00 0.00 54.97 56.66 2qa4 s GLU 2 Cb 0.00 -2.49 -0.15 0.00 0.26 0.00 0.00 34.13 31.76 2qa4 s GLU 2 CO 0.00 -0.33 1.22 0.00 -0.54 0.00 0.00 175.26 175.61 2qa4 n ALA 3 N -0.25 -0.09 0.24 6.30 0.00 -1.26 -4.88 120.51 120.57 2qa4 n ALA 3 Ca 0.06 0.44 0.13 0.00 0.00 0.00 0.00 53.44 54.07 2qa4 n ALA 3 Cb 0.49 -2.11 0.44 0.00 0.00 0.00 0.00 19.45 18.27 2qa4 n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2qa4 h LEU 4 N 3.45 0.00 0.62 0.00 3.38 -1.93 -3.47 115.31 117.37 2qa4 h LEU 4 Ca -0.43 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.32 2qa4 h LEU 4 Cb 1.32 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.09 2qa4 h LEU 4 CO 0.71 0.09 -0.32 0.61 0.09 0.00 0.00 178.44 179.61 2qa4 n GLY 5 N 0.44 -0.00 3.61 0.83 0.00 -1.26 -4.77 105.19 104.04 2qa4 n GLY 5 Ca 0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 2qa4 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 s ALA 6 N -2.80 -2.03 -0.22 4.61 0.00 -1.26 -4.40 121.76 115.65 2qa4 s ALA 6 Ca 0.12 1.74 -0.16 0.00 0.00 0.00 0.00 51.96 53.66 2qa4 s ALA 6 Cb -0.05 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2qa4 s ALA 6 CO 0.15 -0.26 0.41 -0.51 0.00 0.00 0.00 175.76 175.55 2qa4 s ASP 7 N -0.93 6.40 0.06 0.00 1.01 0.65 -4.94 116.67 118.92 2qa4 s ASP 7 Ca 0.03 0.47 0.03 0.00 0.71 0.00 0.00 52.55 53.80 2qa4 s ASP 7 Cb -0.01 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 2qa4 s ASP 7 CO -0.04 -0.13 0.02 -0.69 0.21 0.00 0.00 175.17 174.54 2qa4 s VAL 8 N 1.63 4.19 -0.28 -1.27 1.01 -1.26 0.27 120.40 124.69 2qa4 s VAL 8 Ca 0.19 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2qa4 s VAL 8 Cb -0.15 -2.96 0.08 0.00 0.00 0.00 0.00 36.38 33.35 2qa4 s VAL 8 CO 0.09 0.20 0.00 -0.89 0.00 0.00 0.00 175.10 174.50 2qa4 s THR 9 N -1.26 1.71 0.07 3.92 2.01 -1.26 -5.01 115.64 115.81 2qa4 s THR 9 Ca 0.25 -1.66 -0.37 0.00 0.31 0.00 0.00 61.69 60.22 2qa4 s THR 9 Cb -0.12 -2.10 -0.18 0.00 0.01 0.00 0.00 72.50 70.11 2qa4 s THR 9 CO 0.17 -0.36 1.09 0.00 -0.69 0.00 0.00 174.62 174.82 2qa4 n GLN 10 N 4.55 0.45 0.00 4.92 3.00 -1.26 -4.84 117.38 124.19 2qa4 n GLN 10 Ca -0.05 0.16 0.05 0.00 -0.01 0.00 0.00 57.00 57.15 2qa4 n GLN 10 Cb 0.43 -1.64 -0.01 0.00 0.00 0.00 0.00 30.24 29.02 2qa4 n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qa4 n GLY 11 N 1.87 -0.08 3.59 1.08 0.00 -0.62 -4.89 105.19 106.14 2qa4 n GLY 11 Ca 0.19 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 2qa4 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qa4 s LEU 12 N -1.83 2.89 0.12 0.99 1.43 0.13 -4.97 118.68 117.44 2qa4 s LEU 12 Ca 0.07 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 2qa4 s LEU 12 Cb 0.08 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2qa4 s LEU 12 CO 0.29 -0.15 -0.06 -1.61 0.23 0.00 0.00 176.35 175.05 2qa4 s GLU 13 N -3.65 0.91 0.16 1.70 2.02 -1.26 -0.36 118.70 118.22 2qa4 s GLU 13 Ca 0.33 -1.38 -0.32 0.00 0.02 0.00 0.00 54.97 53.62 2qa4 s GLU 13 Cb -0.01 -0.29 -0.10 0.00 0.10 0.00 0.00 34.13 33.83 2qa4 s GLU 13 CO 0.18 -0.02 1.61 0.21 0.02 0.00 0.00 175.26 177.26 2qa4 s LYS 14 N -3.83 4.20 0.00 1.61 2.20 -0.35 -1.44 119.74 122.13 2qa4 s LYS 14 Ca 0.14 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 2qa4 s LYS 14 Cb 0.05 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 2qa4 s LYS 14 CO -0.03 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 2qa4 n GLY 15 N 3.82 0.91 3.75 5.54 0.00 -0.95 -4.94 105.19 113.31 2qa4 n GLY 15 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2qa4 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qa4 s SER 16 N -1.89 6.96 -0.16 1.61 0.01 -0.52 -4.70 113.70 115.01 2qa4 s SER 16 Ca 0.00 2.42 -0.14 0.00 1.31 0.00 0.00 55.95 59.54 2qa4 s SER 16 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 2qa4 s SER 16 CO 0.00 -0.44 0.28 -0.76 0.41 0.00 0.00 173.24 172.73 2qa4 s LEU 17 N -0.71 4.24 0.37 2.44 1.43 -1.26 0.31 118.68 125.51 2qa4 s LEU 17 Ca 0.52 0.49 0.05 0.00 -1.03 0.00 0.00 54.13 54.17 2qa4 s LEU 17 Cb -0.36 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 2qa4 s LEU 17 CO 0.42 0.10 0.19 0.27 0.23 0.00 0.00 176.35 177.56 2qa4 s ILE 18 N 0.45 0.33 -0.05 -0.59 -4.36 0.21 -4.96 121.20 112.23 2qa4 s ILE 18 Ca 0.16 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.38 2qa4 s ILE 18 Cb -0.13 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.13 2qa4 s ILE 18 CO 0.04 0.00 0.46 -0.89 0.24 0.00 0.00 174.94 174.79 2qa4 s THR 19 N -3.33 5.07 -0.58 8.37 2.01 -1.05 -0.43 115.64 125.71 2qa4 s THR 19 Ca 0.31 0.95 -0.24 0.00 0.31 0.00 0.00 61.69 63.01 2qa4 s THR 19 Cb 0.02 -3.79 0.05 0.00 0.01 0.00 0.00 72.50 68.79 2qa4 s THR 19 CO 0.20 0.44 0.95 0.00 -0.69 0.00 0.00 174.62 175.53 2qa4 n ALA 21 N 7.56 7.38 -3.61 0.00 0.00 -0.80 -4.76 120.51 126.28 2qa4 n ALA 21 Ca 0.01 -3.65 -0.02 0.00 0.00 0.00 0.00 53.44 49.77 2qa4 n ALA 21 Cb 0.47 -3.26 -0.01 0.00 0.00 0.00 0.00 19.45 16.65 2qa4 n ALA 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2qa4 s ASP 22 N 1.82 -0.10 0.00 0.00 -4.77 -1.26 -3.31 116.67 109.05 2qa4 s ASP 22 Ca 0.66 -0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.85 2qa4 s ASP 22 Cb 0.18 0.15 0.00 0.00 -1.09 0.00 0.00 42.92 42.16 2qa4 s ASP 22 CO -0.07 -0.26 0.48 -0.46 0.70 0.00 0.00 175.17 175.57 2qa4 n ASN 23 N -0.25 1.08 0.28 2.11 6.94 -1.18 -4.31 115.26 119.92 2qa4 n ASN 23 Ca -0.03 -1.68 0.14 0.00 -0.02 0.00 0.00 54.58 52.99 2qa4 n ASN 23 Cb 0.60 -0.42 0.82 0.00 -2.36 0.00 0.00 39.78 38.42 2qa4 n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 2qa4 h THR 24 N 0.02 0.50 0.00 5.53 1.35 -1.92 -3.45 112.91 114.94 2qa4 h THR 24 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2qa4 h THR 24 Cb 0.48 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2qa4 h THR 24 CO 0.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 2qa4 n GLY 25 N -0.91 1.18 3.46 5.82 0.00 -1.26 -5.00 105.19 108.48 2qa4 n GLY 25 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2qa4 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 s ALA 26 N -2.00 2.69 -0.09 4.61 0.00 -1.26 -1.74 121.76 123.97 2qa4 s ALA 26 Ca 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2qa4 s ALA 26 Cb 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2qa4 s ALA 26 CO 0.00 0.47 -0.12 0.54 0.00 0.00 0.00 175.76 176.65 2qa4 n ARG 27 N 2.65 0.20 -4.75 0.00 1.74 -0.90 -4.64 116.66 110.96 2qa4 n ARG 27 Ca -0.17 0.09 -0.33 0.00 -0.77 0.00 0.00 57.85 56.66 2qa4 n ARG 27 Cb 0.52 -0.84 -0.15 0.00 -1.02 0.00 0.00 32.46 30.98 2qa4 n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2qa4 s GLU 28 N -2.17 3.30 0.08 5.56 2.12 -1.18 -1.50 118.70 124.91 2qa4 s GLU 28 Ca -0.13 -0.73 0.08 0.00 0.36 0.00 0.00 54.97 54.55 2qa4 s GLU 28 Cb 0.05 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 2qa4 s GLU 28 CO 0.16 0.15 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.35 2qa4 s LEU 29 N 0.50 2.72 -0.17 2.70 1.43 0.43 -0.12 118.68 126.18 2qa4 s LEU 29 Ca -0.10 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2qa4 s LEU 29 Cb -0.16 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2qa4 s LEU 29 CO 0.04 0.21 -0.16 -0.75 0.23 0.00 0.00 176.35 175.93 2qa4 s LYS 30 N -1.85 3.17 0.61 1.70 2.20 0.62 0.68 119.74 126.88 2qa4 s LYS 30 Ca 0.17 -0.76 -0.18 0.00 -0.36 0.00 0.00 55.97 54.83 2qa4 s LYS 30 Cb -0.11 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.55 2qa4 s LYS 30 CO 0.09 -0.06 1.23 0.08 -0.36 0.00 0.00 175.35 176.32 2qa4 s VAL 31 N 1.01 2.47 0.00 4.02 1.01 0.15 -1.39 120.40 127.67 2qa4 s VAL 31 Ca -0.02 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2qa4 s VAL 31 Cb -0.15 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2qa4 s VAL 31 CO -0.04 -0.07 0.00 -0.38 0.00 0.00 0.00 175.10 174.62 2qa4 n ILE 32 N -1.74 0.00 -3.98 2.22 5.41 0.09 -2.24 119.36 119.12 2qa4 n ILE 32 Ca 0.14 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.76 2qa4 n ILE 32 Cb 0.49 -0.04 -0.01 0.00 -0.71 0.00 0.00 39.64 39.37 2qa4 n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2qa4 s SER 33 N -2.52 0.63 -0.21 4.38 0.01 -1.13 -4.83 113.70 110.04 2qa4 s SER 33 Ca 0.00 -1.39 -0.04 0.00 1.31 0.00 0.00 55.95 55.82 2qa4 s SER 33 Cb 0.00 0.75 0.07 0.00 0.21 0.00 0.00 66.02 67.05 2qa4 s SER 33 CO 0.00 -1.48 0.10 -0.69 0.41 0.00 0.00 173.24 171.58 2qa4 s VAL 34 N -2.65 -0.01 0.14 3.43 1.01 -1.26 -2.93 120.40 118.13 2qa4 s VAL 34 Ca 0.25 -0.41 -0.34 0.00 0.00 0.00 0.00 61.98 61.48 2qa4 s VAL 34 Cb -0.02 -0.76 -0.16 0.00 0.00 0.00 0.00 36.38 35.43 2qa4 s VAL 34 CO 0.18 -0.42 1.18 1.57 0.00 0.00 0.00 175.10 177.61 2qa4 n HIS 35 N 5.24 1.25 -1.35 5.22 -0.00 -0.31 -1.89 115.22 123.38 2qa4 n HIS 35 Ca -0.07 0.70 -0.12 0.00 0.46 0.00 0.00 57.72 58.69 2qa4 n HIS 35 Cb 0.47 -2.27 -0.05 0.00 -0.12 0.00 0.00 29.99 28.01 2qa4 n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qa4 n GLY 36 N 2.11 1.27 3.07 1.57 0.00 -1.26 -4.82 105.19 107.13 2qa4 n GLY 36 Ca 0.16 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2qa4 n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qa4 s TYR 37 N -2.31 2.21 -0.09 1.61 5.04 -0.79 -5.11 117.35 117.91 2qa4 s TYR 37 Ca 0.00 -1.13 0.04 0.00 -2.44 0.00 0.00 57.07 53.54 2qa4 s TYR 37 Cb 0.00 -1.58 -0.00 0.00 0.35 0.00 0.00 41.96 40.73 2qa4 s TYR 37 CO 0.00 -0.57 -0.24 -1.54 -1.34 0.00 0.00 175.55 171.86 2qa4 s SER 38 N 1.09 3.02 0.00 4.32 1.04 -1.26 -4.81 113.70 117.10 2qa4 s SER 38 Ca -0.03 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2qa4 s SER 38 Cb -0.14 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.70 2qa4 s SER 38 CO -0.05 0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2qa4 n GLY 39 N 3.43 0.93 3.35 7.32 0.00 -1.26 -5.14 105.19 113.81 2qa4 n GLY 39 Ca -0.19 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 2qa4 n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qa4 s THR 40 N 0.55 0.05 -0.09 2.61 -1.32 -1.26 -5.08 115.64 111.09 2qa4 s THR 40 Ca 0.00 -0.41 -0.41 0.00 -1.21 0.00 0.00 61.69 59.66 2qa4 s THR 40 Cb 0.00 -1.10 -0.19 0.00 -1.51 0.00 0.00 72.50 69.70 2qa4 s THR 40 CO 0.00 -0.23 1.27 1.17 -2.21 0.00 0.00 174.62 174.62 2qa4 n LYS 41 N -0.16 0.31 0.00 7.08 4.81 -1.26 -1.83 118.16 127.11 2qa4 n LYS 41 Ca -0.17 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2qa4 n LYS 41 Cb 0.63 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 34.03 2qa4 n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2qa4 n ASN 42 N 2.43 0.00 -4.65 3.14 3.02 -1.26 -4.97 115.26 112.97 2qa4 n ASN 42 Ca 0.22 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 2qa4 n ASN 42 Cb 0.08 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 2qa4 n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2qa4 s ARG 43 N 0.00 3.94 -0.02 3.52 3.52 -0.76 -4.95 118.95 124.19 2qa4 s ARG 43 Ca 0.00 2.41 -0.30 0.00 -0.13 0.00 0.00 55.73 57.70 2qa4 s ARG 43 Cb 0.00 -4.18 -0.04 0.00 -1.56 0.00 0.00 34.95 29.17 2qa4 s ARG 43 CO 0.00 -1.18 1.21 -0.51 -0.81 0.00 0.00 175.30 174.02 2qa4 s LEU 44 N 5.17 4.31 -0.42 -0.88 1.43 -1.26 -4.57 118.68 122.46 2qa4 s LEU 44 Ca 0.88 1.88 -0.40 0.00 -1.03 0.00 0.00 54.13 55.46 2qa4 s LEU 44 Cb -0.39 -3.56 -0.15 0.00 0.03 0.00 0.00 46.19 42.11 2qa4 s LEU 44 CO 0.38 -0.56 2.12 -0.81 0.23 0.00 0.00 176.35 177.71 2qa4 n PRO 45 N 4.87 0.56 -3.12 1.29 -0.04 -1.26 -4.83 135.00 132.47 2qa4 n PRO 45 Ca 0.10 0.16 -0.39 0.00 -0.04 0.00 0.00 63.50 63.33 2qa4 n PRO 45 Cb 0.46 -1.97 -0.05 0.00 -0.04 0.00 0.00 33.50 31.90 2qa4 n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2qa4 s LYS 46 N 5.82 4.39 -0.06 0.54 -2.85 -1.26 -1.21 119.74 125.11 2qa4 s LYS 46 Ca 1.13 0.85 0.04 0.00 -1.00 0.00 0.00 55.97 56.99 2qa4 s LYS 46 Cb -1.19 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 31.23 2qa4 s LYS 46 CO 0.59 0.32 -0.17 0.00 0.10 0.00 0.00 175.35 176.19 2qa4 s ALA 47 N -0.07 1.54 0.21 0.59 0.00 0.51 -4.95 121.76 119.59 2qa4 s ALA 47 Ca 0.34 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.69 2qa4 s ALA 47 Cb -0.19 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2qa4 s ALA 47 CO 0.19 0.23 0.12 0.41 0.00 0.00 0.00 175.76 176.71 2qa4 n GLY 48 N 3.41 3.52 3.61 0.00 0.00 -1.26 0.21 105.19 114.67 2qa4 n GLY 48 Ca -0.20 -1.91 -0.46 0.00 0.00 0.00 0.00 46.02 43.45 2qa4 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qa4 n LEU 49 N 0.00 2.06 -3.10 0.99 4.77 -1.26 -3.17 117.00 117.29 2qa4 n LEU 49 Ca 0.00 1.16 -0.16 0.00 -0.03 0.00 0.00 56.01 56.98 2qa4 n LEU 49 Cb 0.34 -1.30 0.07 0.00 -2.33 0.00 0.00 43.42 40.20 2qa4 n LEU 49 CO 0.18 -1.15 0.13 0.61 -1.33 0.00 0.00 177.39 175.83 2qa4 n GLY 50 N 1.60 -0.27 3.20 -0.72 0.00 -0.93 -5.01 105.19 103.07 2qa4 n GLY 50 Ca 0.11 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2qa4 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qa4 s ASP 51 N -3.92 2.69 -0.42 1.61 1.01 -1.19 -4.94 116.67 111.51 2qa4 s ASP 51 Ca 0.14 -0.45 -0.27 0.00 0.71 0.00 0.00 52.55 52.68 2qa4 s ASP 51 Cb -0.06 -0.82 0.02 0.00 1.01 0.00 0.00 42.92 43.07 2qa4 s ASP 51 CO 0.63 0.19 1.02 -0.75 0.21 0.00 0.00 175.17 176.46 2qa4 s LYS 52 N 0.01 3.75 0.41 8.23 2.20 -1.26 -2.82 119.74 130.26 2qa4 s LYS 52 Ca -0.06 0.53 0.05 0.00 -0.36 0.00 0.00 55.97 56.13 2qa4 s LYS 52 Cb -0.14 -3.86 0.05 0.00 -1.51 0.00 0.00 37.83 32.38 2qa4 s LYS 52 CO 0.04 -1.16 0.44 0.44 -0.36 0.00 0.00 175.35 174.75 2qa4 n ILE 53 N 6.37 0.00 -4.79 5.43 -5.35 -0.55 -1.16 119.36 119.31 2qa4 n ILE 53 Ca 0.09 -1.48 -0.27 0.00 -0.27 0.00 0.00 62.75 60.83 2qa4 n ILE 53 Cb 0.48 -0.41 -0.17 0.00 -1.74 0.00 0.00 39.64 37.81 2qa4 n ILE 53 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2qa4 s THR 54 N -1.77 1.42 0.11 7.28 2.01 -1.15 -2.93 115.64 120.61 2qa4 s THR 54 Ca 0.33 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.72 2qa4 s THR 54 Cb -0.03 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2qa4 s THR 54 CO 0.21 0.42 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.75 2qa4 s VAL 55 N 0.46 1.11 -0.15 3.82 1.01 0.67 -0.73 120.40 126.58 2qa4 s VAL 55 Ca -0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 61.98 60.17 2qa4 s VAL 55 Cb -0.15 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 2qa4 s VAL 55 CO 0.05 -0.48 -0.05 -0.55 0.00 0.00 0.00 175.10 174.08 2qa4 s SER 56 N -2.39 4.71 -0.42 3.32 0.15 -0.49 -1.60 113.70 116.98 2qa4 s SER 56 Ca 0.06 -0.15 -0.29 0.00 0.70 0.00 0.00 55.95 56.27 2qa4 s SER 56 Cb -0.04 -1.76 0.02 0.00 -1.71 0.00 0.00 66.02 62.52 2qa4 s SER 56 CO 0.01 0.17 1.23 -0.69 1.20 0.00 0.00 173.24 175.16 2qa4 s VAL 57 N 0.37 4.15 -0.13 4.45 1.01 -1.13 -0.27 120.40 128.84 2qa4 s VAL 57 Ca -0.05 1.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.87 2qa4 s VAL 57 Cb -0.14 -4.42 -0.24 0.00 0.00 0.00 0.00 36.38 31.58 2qa4 s VAL 57 CO 0.03 -0.81 0.72 0.74 0.00 0.00 0.00 175.10 175.78 2qa4 h THR 58 N 6.21 1.64 -3.58 3.92 2.02 -0.83 -1.43 112.91 120.85 2qa4 h THR 58 Ca -0.24 -2.21 -0.39 0.00 0.77 0.00 0.00 66.41 64.33 2qa4 h THR 58 Cb 1.08 3.09 -0.18 0.00 -1.74 0.00 0.00 68.15 70.40 2qa4 h THR 58 CO 1.09 0.55 -0.75 -0.54 0.37 0.00 0.00 175.52 176.24 2qa4 s LYS 59 N -2.22 1.00 0.00 6.66 1.02 -0.85 -4.82 119.74 120.53 2qa4 s LYS 59 Ca -0.17 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 54.57 2qa4 s LYS 59 Cb -0.03 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.45 2qa4 s LYS 59 CO 0.63 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.62 2qa4 n GLY 60 N 0.48 0.66 3.74 -3.33 0.00 -1.26 -2.11 105.19 103.36 2qa4 n GLY 60 Ca -0.15 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 2qa4 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qa4 s THR 61 N -3.73 3.53 -0.56 2.61 -4.23 -0.71 -4.78 115.64 107.78 2qa4 s THR 61 Ca 0.00 1.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 2qa4 s THR 61 Cb 0.00 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.02 2qa4 s THR 61 CO 0.00 0.20 0.56 -2.65 -0.54 0.00 0.00 174.62 172.19 2qa4 n PRO 62 N 2.56 0.00 -0.11 3.99 -0.02 -1.26 0.80 135.00 140.97 2qa4 n PRO 62 Ca 0.05 0.15 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 2qa4 n PRO 62 Cb 0.44 -1.70 -0.14 0.00 -0.02 0.00 0.00 33.50 32.09 2qa4 n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qa4 n GLU 63 N -1.06 0.67 0.11 -0.52 -0.58 -1.26 -4.45 120.64 113.55 2qa4 n GLU 63 Ca 0.00 0.11 0.07 0.00 -0.42 0.00 0.00 57.16 56.92 2qa4 n GLU 63 Cb 0.20 -1.54 0.01 0.00 -0.57 0.00 0.00 31.44 29.53 2qa4 n GLU 63 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2qa4 h MET 64 N 0.00 0.00 -6.41 3.49 2.86 0.09 -3.47 114.93 111.50 2qa4 h MET 64 Ca -0.55 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 56.56 2qa4 h MET 64 Cb 2.04 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.71 2qa4 h MET 64 CO -0.03 0.16 1.03 1.03 1.06 0.00 0.00 176.91 180.16 2qa4 s ARG 65 N -3.15 4.19 0.00 1.72 0.52 -0.14 -2.84 118.95 119.24 2qa4 s ARG 65 Ca 0.01 2.32 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 2qa4 s ARG 65 Cb 0.08 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.85 2qa4 s ARG 65 CO 0.77 -0.77 0.00 0.54 0.02 0.00 0.00 175.30 175.86 2qa4 n ARG 66 N 6.00 0.00 -3.56 3.54 1.74 -0.54 -4.99 116.66 118.86 2qa4 n ARG 66 Ca 0.16 0.31 -0.37 0.00 -0.77 0.00 0.00 57.85 57.18 2qa4 n ARG 66 Cb 0.41 -3.19 -0.08 0.00 -1.02 0.00 0.00 32.46 28.58 2qa4 n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qa4 s GLN 67 N -2.12 4.17 -0.75 5.56 -0.21 -1.13 -4.78 119.66 120.41 2qa4 s GLN 67 Ca 0.00 -0.03 -0.26 0.00 0.02 0.00 0.00 55.36 55.09 2qa4 s GLN 67 Cb 0.00 -3.49 0.03 0.00 1.00 0.00 0.00 33.01 30.56 2qa4 s GLN 67 CO 0.00 0.12 1.26 0.08 -2.12 0.00 0.00 175.29 174.64 2qa4 s VAL 68 N 0.84 3.79 0.20 1.09 1.01 -1.26 -2.84 120.40 123.22 2qa4 s VAL 68 Ca 0.13 0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.47 2qa4 s VAL 68 Cb -0.13 -4.91 -0.04 0.00 0.00 0.00 0.00 36.38 31.30 2qa4 s VAL 68 CO 0.04 -1.83 -0.17 -0.76 0.00 0.00 0.00 175.10 172.38 2qa4 s LEU 69 N 5.54 2.50 0.59 3.92 1.43 -0.63 -4.96 118.68 127.08 2qa4 s LEU 69 Ca 0.35 -0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 52.45 2qa4 s LEU 69 Cb -0.08 -0.82 0.01 0.00 0.03 0.00 0.00 46.19 45.33 2qa4 s LEU 69 CO 0.13 -0.07 0.89 -0.70 0.23 0.00 0.00 176.35 176.83 2qa4 s GLU 70 N -3.21 2.89 0.18 1.70 2.12 -1.25 -0.24 118.70 120.89 2qa4 s GLU 70 Ca 0.20 -0.06 -0.24 0.00 0.36 0.00 0.00 54.97 55.24 2qa4 s GLU 70 Cb -0.04 -2.29 0.06 0.00 0.26 0.00 0.00 34.13 32.12 2qa4 s GLU 70 CO 0.08 -0.70 0.94 0.00 -0.54 0.00 0.00 175.26 175.04 2qa4 s ALA 71 N -2.97 -1.56 -0.07 6.30 0.00 -1.15 -1.40 121.76 120.92 2qa4 s ALA 71 Ca 0.54 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.49 2qa4 s ALA 71 Cb -0.10 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.71 2qa4 s ALA 71 CO 0.45 -1.05 -0.10 0.08 0.00 0.00 0.00 175.76 175.14 2qa4 s VAL 72 N -3.16 1.00 0.01 0.00 1.01 -0.95 -1.48 120.40 116.83 2qa4 s VAL 72 Ca 0.14 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 2qa4 s VAL 72 Cb -0.02 -0.94 -0.08 0.00 0.00 0.00 0.00 36.38 35.33 2qa4 s VAL 72 CO 0.04 0.33 1.91 -0.69 0.00 0.00 0.00 175.10 176.69 2qa4 s VAL 73 N 0.87 3.13 -0.02 2.92 1.01 -1.13 -2.28 120.40 124.91 2qa4 s VAL 73 Ca -0.11 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2qa4 s VAL 73 Cb -0.15 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 2qa4 s VAL 73 CO 0.01 -0.02 0.10 0.55 0.00 0.00 0.00 175.10 175.75 2qa4 n VAL 74 N 5.59 0.00 -3.74 2.92 3.14 0.15 -2.18 118.33 124.21 2qa4 n VAL 74 Ca 0.20 -0.12 -0.13 0.00 -2.96 0.00 0.00 64.34 61.33 2qa4 n VAL 74 Cb 0.41 0.46 -0.08 0.00 -1.06 0.00 0.00 33.84 33.57 2qa4 n VAL 74 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2qa4 s ARG 75 N -2.21 0.77 0.18 1.45 0.52 -1.02 -3.65 118.95 114.99 2qa4 s ARG 75 Ca -0.01 -0.32 -0.20 0.00 -0.52 0.00 0.00 55.73 54.67 2qa4 s ARG 75 Cb 0.03 0.34 0.05 0.00 0.52 0.00 0.00 34.95 35.88 2qa4 s ARG 75 CO 0.17 -0.23 0.56 1.14 0.02 0.00 0.00 175.30 176.96 2qa4 s GLN 76 N -1.95 1.33 0.27 3.54 -2.07 -0.93 -0.22 119.66 119.64 2qa4 s GLN 76 Ca -0.09 -0.67 0.22 0.00 -1.82 0.00 0.00 55.36 52.99 2qa4 s GLN 76 Cb -0.03 0.55 0.10 0.00 -1.09 0.00 0.00 33.01 32.55 2qa4 s GLN 76 CO 0.01 -0.57 1.24 0.00 -1.32 0.00 0.00 175.29 174.64 2qa4 h ARG 77 N 2.11 0.00 -6.74 9.60 3.08 -1.80 -2.32 114.38 118.31 2qa4 h ARG 77 Ca -0.31 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.25 2qa4 h ARG 77 Cb 1.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 2qa4 h ARG 77 CO 0.38 0.06 0.33 0.21 -1.07 0.00 0.00 179.97 179.88 2qa4 s LYS 78 N -3.24 4.80 0.18 0.04 2.47 -1.26 -4.43 119.74 118.30 2qa4 s LYS 78 Ca 0.02 1.44 -0.32 0.00 -1.56 0.00 0.00 55.97 55.55 2qa4 s LYS 78 Cb 0.08 -3.22 -0.11 0.00 -1.46 0.00 0.00 37.83 33.12 2qa4 s LYS 78 CO 0.75 0.50 1.64 -2.14 0.16 0.00 0.00 175.35 176.25 2qa4 s PRO 79 N -1.28 4.18 -0.01 4.03 0.02 -1.26 -4.65 135.00 136.02 2qa4 s PRO 79 Ca 0.42 2.47 0.05 0.00 0.02 0.00 0.00 61.00 63.96 2qa4 s PRO 79 Cb -0.25 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.12 2qa4 s PRO 79 CO 0.31 -0.67 -0.17 0.96 -0.33 0.00 0.00 177.00 177.09 2qa4 s ILE 80 N 1.18 2.81 -0.06 2.83 -4.36 -0.79 -4.44 121.20 118.37 2qa4 s ILE 80 Ca 0.72 -0.94 -0.14 0.00 -0.26 0.00 0.00 60.65 60.03 2qa4 s ILE 80 Cb -0.46 -2.11 -0.05 0.00 1.25 0.00 0.00 42.46 41.09 2qa4 s ILE 80 CO 0.32 0.50 0.35 -0.60 0.24 0.00 0.00 174.94 175.74 2qa4 s ARG 81 N -0.96 3.95 0.44 0.37 3.52 0.14 -0.80 118.95 125.62 2qa4 s ARG 81 Ca 0.12 0.26 0.04 0.00 -0.13 0.00 0.00 55.73 56.02 2qa4 s ARG 81 Cb -0.10 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 2qa4 s ARG 81 CO 0.02 0.56 0.62 1.03 -0.81 0.00 0.00 175.30 176.72 2qa4 s ARG 82 N -0.58 2.89 0.24 5.12 0.52 -0.97 -0.25 118.95 125.92 2qa4 s ARG 82 Ca 0.21 -0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 54.50 2qa4 s ARG 82 Cb -0.15 -2.65 0.43 0.00 0.52 0.00 0.00 34.95 33.10 2qa4 s ARG 82 CO 0.10 -0.30 1.69 -1.35 0.02 0.00 0.00 175.30 175.46 2qa4 h PRO 83 N 0.49 0.27 -0.01 3.54 0.11 -1.90 -0.67 132.00 133.84 2qa4 h PRO 83 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qa4 h PRO 83 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qa4 h PRO 83 CO 0.52 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 2qa4 n ASP 84 N -5.14 0.01 0.00 -2.05 5.75 -1.26 -4.87 116.55 108.98 2qa4 n ASP 84 Ca 0.13 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 2qa4 n ASP 84 Cb 0.43 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2qa4 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qa4 n GLY 85 N 0.30 3.07 3.54 6.12 0.00 -0.26 -5.03 105.19 112.93 2qa4 n GLY 85 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2qa4 n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qa4 n THR 86 N -1.51 0.75 -4.12 2.61 -1.04 -1.26 -4.66 114.28 105.04 2qa4 n THR 86 Ca 0.00 -0.19 -0.23 0.00 -2.04 0.00 0.00 64.05 61.59 2qa4 n THR 86 Cb 0.00 -0.84 -0.05 0.00 -1.82 0.00 0.00 70.33 67.62 2qa4 n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2qa4 s ARG 87 N -3.79 2.90 -0.19 -2.82 1.81 -1.26 -2.28 118.95 113.31 2qa4 s ARG 87 Ca 0.64 -1.04 -0.04 0.00 -1.72 0.00 0.00 55.73 53.57 2qa4 s ARG 87 Cb -0.26 -2.56 0.08 0.00 -0.45 0.00 0.00 34.95 31.76 2qa4 s ARG 87 CO 0.60 0.41 0.14 0.08 -0.68 0.00 0.00 175.30 175.86 2qa4 s VAL 88 N -2.08 -0.18 0.11 3.52 1.01 0.02 -4.91 120.40 117.89 2qa4 s VAL 88 Ca 0.32 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.22 2qa4 s VAL 88 Cb -0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2qa4 s VAL 88 CO 0.24 -0.28 -0.25 -1.59 0.00 0.00 0.00 175.10 173.22 2qa4 s LYS 89 N 2.21 1.58 0.40 2.72 -2.85 -1.26 -1.88 119.74 120.66 2qa4 s LYS 89 Ca 0.04 -1.25 0.05 0.00 -1.00 0.00 0.00 55.97 53.81 2qa4 s LYS 89 Cb -0.16 -1.97 0.05 0.00 -2.06 0.00 0.00 37.83 33.70 2qa4 s LYS 89 CO -0.12 0.47 0.45 1.19 0.10 0.00 0.00 175.35 177.44 2qa4 n PHE 90 N 1.10 -1.79 -0.04 1.78 3.01 -0.87 -5.04 117.46 115.61 2qa4 n PHE 90 Ca -0.17 -1.57 -0.11 0.00 1.01 0.00 0.00 57.45 56.61 2qa4 n PHE 90 Cb 0.53 -0.36 -0.09 0.00 -0.01 0.00 0.00 39.48 39.54 2qa4 n PHE 90 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2qa4 h GLU 91 N 0.00 -0.04 0.00 -1.08 4.22 -1.94 -3.41 114.58 112.32 2qa4 h GLU 91 Ca -0.22 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 58.89 2qa4 h GLU 91 Cb 0.90 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.08 2qa4 h GLU 91 CO 0.32 0.62 -0.29 -0.40 -2.18 0.00 0.00 179.01 177.09 2qa4 n ASP 92 N -4.72 0.94 -4.63 1.04 5.75 -1.26 -4.80 116.55 108.88 2qa4 n ASP 92 Ca -0.08 -2.33 -0.34 0.00 -0.01 0.00 0.00 54.79 52.03 2qa4 n ASP 92 Cb 0.33 0.68 -0.10 0.00 -1.03 0.00 0.00 41.12 40.99 2qa4 n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2qa4 s ASN 93 N -2.52 5.13 0.20 -1.12 0.01 -1.26 -2.18 114.94 113.20 2qa4 s ASN 93 Ca 0.14 0.06 -0.22 0.00 -0.71 0.00 0.00 52.86 52.13 2qa4 s ASN 93 Cb 0.01 -1.58 0.05 0.00 0.41 0.00 0.00 41.25 40.14 2qa4 s ASN 93 CO 0.10 0.31 0.64 0.00 -1.51 0.00 0.00 177.10 176.64 2qa4 s ALA 94 N -0.44 -1.47 -0.03 0.60 0.00 0.69 -2.53 121.76 118.58 2qa4 s ALA 94 Ca 0.08 0.22 -0.23 0.00 0.00 0.00 0.00 51.96 52.03 2qa4 s ALA 94 Cb -0.12 0.87 0.05 0.00 0.00 0.00 0.00 23.12 23.92 2qa4 s ALA 94 CO 0.02 -0.86 0.50 0.00 0.00 0.00 0.00 175.76 175.42 2qa4 s ALA 95 N -3.80 -1.28 -0.20 0.00 0.00 -0.68 0.32 121.76 116.11 2qa4 s ALA 95 Ca 0.04 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 2qa4 s ALA 95 Cb -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2qa4 s ALA 95 CO -0.06 -0.32 0.04 0.08 0.00 0.00 0.00 175.76 175.49 2qa4 s VAL 96 N -1.31 4.34 0.49 0.00 1.01 -0.96 -1.90 120.40 122.07 2qa4 s VAL 96 Ca -0.12 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 2qa4 s VAL 96 Cb -0.02 -2.97 -0.09 0.00 0.00 0.00 0.00 36.38 33.29 2qa4 s VAL 96 CO 0.07 0.42 0.89 -0.38 0.00 0.00 0.00 175.10 176.09 2qa4 n ILE 97 N 4.12 2.69 -4.12 2.22 5.41 -1.26 -2.25 119.36 126.17 2qa4 n ILE 97 Ca -0.17 -0.50 -0.08 0.00 1.00 0.00 0.00 62.75 63.00 2qa4 n ILE 97 Cb 0.52 -1.03 -0.10 0.00 -0.71 0.00 0.00 39.64 38.31 2qa4 n ILE 97 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2qa4 s VAL 98 N -1.42 0.23 0.00 1.39 1.01 -0.49 -3.08 120.40 118.04 2qa4 s VAL 98 Ca 0.67 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.79 2qa4 s VAL 98 Cb -0.51 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2qa4 s VAL 98 CO 0.54 -0.79 0.00 -0.90 0.00 0.00 0.00 175.10 173.94 2qa4 n ASP 99 N 0.02 0.63 -0.09 3.32 5.68 -1.02 -3.96 116.55 121.13 2qa4 n ASP 99 Ca -0.11 -0.55 -0.07 0.00 -0.50 0.00 0.00 54.79 53.56 2qa4 n ASP 99 Cb 0.62 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 2qa4 n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2qa4 h GLU 100 N 0.00 0.24 0.00 0.11 5.08 -2.00 -2.00 114.58 116.01 2qa4 h GLU 100 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2qa4 h GLU 100 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2qa4 h GLU 100 CO 0.00 0.16 0.00 -0.91 -1.00 0.00 0.00 179.01 177.26 2qa4 h ASN 101 N 0.25 0.00 -0.23 1.42 2.35 -2.05 -3.46 115.58 113.85 2qa4 h ASN 101 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2qa4 h ASN 101 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2qa4 h ASN 101 CO -0.14 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.02 2qa4 n GLU 102 N -3.00 0.00 -4.51 0.81 1.02 -0.75 -5.10 120.64 109.11 2qa4 n GLU 102 Ca 0.02 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.82 2qa4 n GLU 102 Cb 0.38 -0.93 -0.11 0.00 -0.02 0.00 0.00 31.44 30.76 2qa4 n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qa4 s ASP 103 N -2.33 4.77 0.15 1.62 1.01 -1.26 -4.65 116.67 115.99 2qa4 s ASP 103 Ca 0.00 -0.05 -0.34 0.00 0.71 0.00 0.00 52.55 52.87 2qa4 s ASP 103 Cb 0.00 -1.46 -0.15 0.00 1.01 0.00 0.00 42.92 42.31 2qa4 s ASP 103 CO 0.00 0.29 1.32 -0.81 0.21 0.00 0.00 175.17 176.17 2qa4 n PRO 104 N 2.75 1.45 0.13 8.23 -0.04 -1.26 -2.44 135.00 143.81 2qa4 n PRO 104 Ca -0.18 0.52 -0.01 0.00 -0.04 0.00 0.00 63.50 63.79 2qa4 n PRO 104 Cb 0.53 -2.13 0.11 0.00 -0.04 0.00 0.00 33.50 31.97 2qa4 n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2qa4 h ARG 105 N 4.25 0.00 -7.25 0.54 2.43 -1.86 -3.46 114.38 109.04 2qa4 h ARG 105 Ca -0.45 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.25 2qa4 h ARG 105 Cb 1.32 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 30.97 2qa4 h ARG 105 CO 0.76 0.66 0.17 0.20 -1.51 0.00 0.00 179.97 180.25 2qa4 s GLY 106 N -4.51 1.76 -0.05 2.80 0.00 -1.26 -4.93 107.32 101.13 2qa4 s GLY 106 Ca 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 44.72 43.00 2qa4 s GLY 106 CO 0.76 -1.06 -0.07 2.41 0.00 0.00 0.00 173.10 175.14 2qa4 n THR 107 N -3.03 0.47 -4.13 0.90 -1.04 -1.26 -5.00 114.28 101.19 2qa4 n THR 107 Ca 0.16 0.40 -0.24 0.00 -2.04 0.00 0.00 64.05 62.34 2qa4 n THR 107 Cb 0.60 -1.79 -0.05 0.00 -1.82 0.00 0.00 70.33 67.27 2qa4 n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2qa4 s GLU 108 N -1.44 2.84 -0.11 -2.82 2.02 -1.26 -5.03 118.70 112.91 2qa4 s GLU 108 Ca -0.05 -1.03 -0.02 0.00 0.02 0.00 0.00 54.97 53.88 2qa4 s GLU 108 Cb 0.01 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 2qa4 s GLU 108 CO 0.08 0.43 -0.01 -0.51 0.02 0.00 0.00 175.26 175.27 2qa4 s LEU 109 N -3.55 3.49 0.03 1.80 1.43 -1.26 -3.10 118.68 117.52 2qa4 s LEU 109 Ca 0.32 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.39 2qa4 s LEU 109 Cb -0.08 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2qa4 s LEU 109 CO 0.24 0.32 0.34 -0.54 0.23 0.00 0.00 176.35 176.94 2qa4 s LYS 110 N -0.53 3.71 0.32 1.70 1.02 -1.21 -4.74 119.74 120.03 2qa4 s LYS 110 Ca 0.09 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.20 2qa4 s LYS 110 Cb -0.12 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2qa4 s LYS 110 CO 0.02 0.63 0.00 0.41 -0.92 0.00 0.00 175.35 175.49 2qa4 n GLY 111 N 1.23 -2.22 3.59 -3.33 0.00 -1.26 -4.82 105.19 98.39 2qa4 n GLY 111 Ca -0.11 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 2qa4 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qa4 s PRO 112 N -2.58 -1.23 -0.23 1.61 0.04 -1.26 -4.62 135.00 126.72 2qa4 s PRO 112 Ca 0.00 -0.07 -0.16 0.00 0.04 0.00 0.00 61.00 60.81 2qa4 s PRO 112 Cb 0.00 -1.60 0.07 0.00 0.04 0.00 0.00 34.50 33.01 2qa4 s PRO 112 CO 0.00 -3.72 0.58 0.42 0.04 0.00 0.00 177.00 174.32 2qa4 s ILE 113 N -3.01 -0.01 0.40 0.56 1.01 -0.97 -4.88 121.20 114.30 2qa4 s ILE 113 Ca 0.71 0.02 -0.26 0.00 0.00 0.00 0.00 60.65 61.12 2qa4 s ILE 113 Cb -0.10 -0.83 -0.09 0.00 0.01 0.00 0.00 42.46 41.46 2qa4 s ILE 113 CO 0.56 0.01 1.32 0.00 0.00 0.00 0.00 174.94 176.83 2qa4 s ALA 114 N 1.05 3.30 0.59 9.38 0.00 -1.24 -1.29 121.76 133.55 2qa4 s ALA 114 Ca -0.06 1.28 0.31 0.00 0.00 0.00 0.00 51.96 53.49 2qa4 s ALA 114 Cb -0.06 -3.50 1.87 0.00 0.00 0.00 0.00 23.12 21.44 2qa4 s ALA 114 CO -0.10 -0.85 2.26 0.07 0.00 0.00 0.00 175.76 177.14 2qa4 h ARG 115 N 2.74 0.00 0.00 0.00 0.11 -1.28 -1.45 114.38 114.50 2qa4 h ARG 115 Ca -0.50 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.55 2qa4 h ARG 115 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2qa4 h ARG 115 CO 0.63 0.01 -0.18 0.93 0.10 0.00 0.00 179.97 181.46 2qa4 h GLU 116 N 0.00 0.00 -0.16 0.08 3.07 -1.86 -2.73 114.58 112.98 2qa4 h GLU 116 Ca -0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 2qa4 h GLU 116 Cb 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2qa4 h GLU 116 CO 0.00 0.18 -0.21 0.28 -1.40 0.00 0.00 179.01 177.85 2qa4 h VAL 117 N 0.00 1.23 -0.14 3.13 2.07 -1.60 -3.13 116.25 117.80 2qa4 h VAL 117 Ca -0.00 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.52 2qa4 h VAL 117 Cb 0.51 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2qa4 h VAL 117 CO 0.02 0.32 -0.18 0.00 0.02 0.00 0.00 177.57 177.75 2qa4 h ALA 118 N 1.53 -0.11 -0.52 1.67 0.00 -1.62 -2.08 119.26 118.12 2qa4 h ALA 118 Ca 0.04 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.15 2qa4 h ALA 118 Cb 0.53 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2qa4 h ALA 118 CO 0.04 -0.63 0.45 1.96 0.00 0.00 0.00 179.25 181.06 2qa4 h GLN 119 N -0.23 0.00 0.02 0.00 4.20 -1.70 -2.41 115.11 114.99 2qa4 h GLN 119 Ca 0.10 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.45 2qa4 h GLN 119 Cb 0.37 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 2qa4 h GLN 119 CO -0.27 0.00 -2.22 0.54 -0.67 0.00 0.00 178.83 176.21 2qa4 n ARG 120 N -4.01 0.68 -3.53 1.46 1.74 -1.05 -4.78 116.66 107.16 2qa4 n ARG 120 Ca 0.10 0.13 -0.27 0.00 -0.77 0.00 0.00 57.85 57.04 2qa4 n ARG 120 Cb 0.66 -1.60 -0.11 0.00 -1.02 0.00 0.00 32.46 30.39 2qa4 n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qa4 s PHE 121 N -2.53 1.71 0.22 -1.55 0.40 -0.81 -4.98 117.98 110.44 2qa4 s PHE 121 Ca -0.17 -2.56 -0.09 0.00 -0.60 0.00 0.00 56.93 53.51 2qa4 s PHE 121 Cb 0.07 -1.38 0.18 0.00 0.51 0.00 0.00 43.02 42.40 2qa4 s PHE 121 CO 0.76 -0.76 1.85 0.78 0.70 0.00 0.00 175.22 178.55 2qa4 h GLY 122 N 5.64 1.20 1.47 4.36 0.00 -1.70 -1.54 103.07 112.51 2qa4 h GLY 122 Ca 0.23 -0.52 0.07 0.00 0.00 0.00 0.00 47.33 47.10 2qa4 h GLY 122 CO 0.46 0.51 0.21 1.48 0.00 0.00 0.00 176.54 179.19 2qa4 h SER 123 N 1.13 0.10 0.13 0.19 4.64 -1.89 0.79 113.55 118.64 2qa4 h SER 123 Ca 0.29 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.41 2qa4 h SER 123 Cb -0.01 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2qa4 h SER 123 CO -0.05 0.07 -0.88 0.58 -0.87 0.00 0.00 176.83 175.68 2qa4 h VAL 124 N 0.11 1.47 -0.30 0.95 2.07 -1.73 -3.35 116.25 115.47 2qa4 h VAL 124 Ca 0.14 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.16 2qa4 h VAL 124 Cb 0.41 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 2qa4 h VAL 124 CO -0.02 0.71 0.16 0.00 0.02 0.00 0.00 177.57 178.44 2qa4 h ALA 125 N 0.13 0.39 0.00 1.67 0.00 -0.06 -2.42 119.26 118.98 2qa4 h ALA 125 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2qa4 h ALA 125 Cb 1.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2qa4 h ALA 125 CO 0.17 -0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 2qa4 n SER 126 N -4.79 0.00 -0.35 0.00 3.41 0.26 -0.97 113.62 111.18 2qa4 n SER 126 Ca -0.02 -0.45 0.03 0.00 -0.26 0.00 0.00 58.87 58.18 2qa4 n SER 126 Cb 0.09 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.12 2qa4 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qa4 n ALA 127 N -0.91 2.17 -2.23 7.33 0.00 -0.91 -5.05 120.51 120.90 2qa4 n ALA 127 Ca 0.07 -0.99 -0.34 0.00 0.00 0.00 0.00 53.44 52.19 2qa4 n ALA 127 Cb 0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 2qa4 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qa4 s ALA 128 N -0.92 3.45 0.00 0.00 0.00 -0.14 -4.29 121.76 119.86 2qa4 s ALA 128 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2qa4 s ALA 128 Cb 0.07 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.53 2qa4 s ALA 128 CO 0.09 0.39 0.00 2.41 0.00 0.00 0.00 175.76 178.65 2qa4 n THR 129 N 0.14 0.00 -4.36 0.00 -1.04 -1.26 -4.90 114.28 102.86 2qa4 n THR 129 Ca -0.00 0.34 -0.34 0.00 -2.04 0.00 0.00 64.05 62.01 2qa4 n THR 129 Cb 0.52 -1.05 -0.11 0.00 -1.82 0.00 0.00 70.33 67.87 2qa4 n THR 129 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2qa4 s MET 130 N -0.68 3.45 -0.42 -2.82 -1.94 -1.26 -5.08 119.30 110.55 2qa4 s MET 130 Ca 0.00 -0.47 0.02 0.00 -1.71 0.00 0.00 55.69 53.54 2qa4 s MET 130 Cb 0.00 -2.90 0.12 0.00 2.01 0.00 0.00 34.83 34.07 2qa4 s MET 130 CO 0.00 0.41 0.19 0.42 -0.01 0.00 0.00 175.02 176.03 2qa4 s ILE 131 N -0.08 1.79 -2.19 2.53 1.01 -1.26 -2.29 121.20 120.71 2qa4 s ILE 131 Ca 0.03 -2.54 0.30 0.00 0.00 0.00 0.00 60.65 58.45 2qa4 s ILE 131 Cb -0.13 -2.28 0.77 0.00 0.01 0.00 0.00 42.46 40.83 2qa4 s ILE 131 CO 0.02 -0.78 2.04 0.52 0.00 0.00 0.00 174.94 176.74