#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s SER 2 N 0.00 2.66 -0.02 8.00 1.04 -1.26 -4.98 113.70 119.14 2qa4 s SER 2 Ca 0.00 0.67 -0.25 0.00 0.48 0.00 0.00 55.95 56.85 2qa4 s SER 2 Cb 0.00 -1.00 -0.20 0.00 0.10 0.00 0.00 66.02 64.92 2qa4 s SER 2 CO 0.00 -3.05 1.27 0.50 0.98 0.00 0.00 173.24 172.94 2qa4 h LYS 3 N -1.85 0.03 -1.00 4.02 3.64 -2.07 -3.18 116.57 116.16 2qa4 h LYS 3 Ca -0.47 -0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.08 2qa4 h LYS 3 Cb 1.29 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.01 2qa4 h LYS 3 CO 0.47 0.52 0.61 0.87 -2.27 0.00 0.00 179.45 179.65 2qa4 h LYS 4 N -0.45 0.74 -0.81 1.90 1.57 -2.01 -0.91 116.57 116.59 2qa4 h LYS 4 Ca 0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2qa4 h LYS 4 Cb 0.51 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2qa4 h LYS 4 CO 0.00 0.49 0.54 -0.22 -0.57 0.00 0.00 179.45 179.69 2qa4 h LYS 5 N 0.76 1.03 0.00 3.15 1.63 -1.93 -2.07 116.57 119.15 2qa4 h LYS 5 Ca 0.58 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 2qa4 h LYS 5 Cb 0.90 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 2qa4 h LYS 5 CO -0.38 0.68 0.00 0.54 -3.45 0.00 0.00 179.45 176.84 2qa4 n ARG 6 N -4.42 0.16 0.21 1.90 1.74 -0.36 -3.89 116.66 112.00 2qa4 n ARG 6 Ca 0.10 0.05 0.15 0.00 -0.77 0.00 0.00 57.85 57.37 2qa4 n ARG 6 Cb 0.06 -1.50 0.63 0.00 -1.02 0.00 0.00 32.46 30.63 2qa4 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qa4 h GLN 7 N 0.00 0.00 -6.44 5.56 1.08 -1.26 -3.44 115.11 110.62 2qa4 h GLN 7 Ca 0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 2qa4 h GLN 7 Cb 0.37 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2qa4 h GLN 7 CO 0.00 0.00 0.86 1.03 -0.95 0.00 0.00 178.83 179.77 2qa4 s ARG 8 N -3.54 4.26 0.00 1.46 1.81 -1.25 -2.52 118.95 119.17 2qa4 s ARG 8 Ca 0.02 2.10 0.00 0.00 -1.72 0.00 0.00 55.73 56.13 2qa4 s ARG 8 Cb 0.09 -3.50 0.00 0.00 -0.45 0.00 0.00 34.95 31.10 2qa4 s ARG 8 CO 0.46 -0.59 0.00 0.41 -0.68 0.00 0.00 175.30 174.90 2qa4 n GLY 9 N 3.71 0.28 0.16 -3.53 0.00 -1.26 -4.91 105.19 99.63 2qa4 n GLY 9 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2qa4 n GLY 9 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qa4 h SER 10 N 0.00 0.00 0.00 1.61 4.64 -1.77 -3.49 113.55 114.55 2qa4 h SER 10 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qa4 h SER 10 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qa4 h SER 10 CO 0.00 0.20 0.00 -1.14 -0.87 0.00 0.00 176.83 175.02 2qa4 n ARG 11 N -2.99 0.00 0.27 4.77 0.63 -1.26 -4.32 116.66 113.76 2qa4 n ARG 11 Ca 0.01 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 2qa4 n ARG 11 Cb 0.63 0.00 0.74 0.00 0.45 0.00 0.00 32.46 34.28 2qa4 n ARG 11 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2qa4 h THR 12 N 0.00 0.68 -4.66 5.15 1.35 -1.92 -3.47 112.91 110.04 2qa4 h THR 12 Ca 0.00 -0.36 -0.36 0.00 -0.55 0.00 0.00 66.41 65.14 2qa4 h THR 12 Cb 0.00 1.22 0.09 0.00 -1.73 0.00 0.00 68.15 67.73 2qa4 h THR 12 CO 0.00 0.09 -0.57 1.41 -0.25 0.00 0.00 175.52 176.20 2qa4 n HIS 13 N -3.87 -2.17 -0.90 4.73 8.25 -1.26 -3.09 115.22 116.91 2qa4 n HIS 13 Ca -0.02 0.69 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 2qa4 n HIS 13 Cb 0.18 -4.35 0.00 0.00 1.12 0.00 0.00 29.99 26.95 2qa4 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qa4 n GLY 14 N -1.65 0.49 2.23 -1.41 0.00 -1.26 -4.99 105.19 98.60 2qa4 n GLY 14 Ca -0.04 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 2qa4 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 15 N -2.90 5.93 7.00 -0.02 0.00 -1.18 -5.10 105.19 108.93 2qa4 n GLY 15 Ca 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.43 2qa4 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 16 N -0.61 2.71 3.77 -0.02 0.00 -1.26 -4.65 105.19 105.13 2qa4 n GLY 16 Ca 0.40 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2qa4 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qa4 s SER 17 N -4.00 7.37 0.36 1.61 0.15 -1.26 -4.82 113.70 113.11 2qa4 s SER 17 Ca 0.00 1.95 0.19 0.00 0.70 0.00 0.00 55.95 58.79 2qa4 s SER 17 Cb 0.00 -2.60 1.05 0.00 -1.71 0.00 0.00 66.02 62.76 2qa4 s SER 17 CO 0.00 -0.05 1.54 1.12 1.20 0.00 0.00 173.24 177.05 2qa4 h HIS 18 N 3.50 0.00 0.00 3.44 -0.00 -1.95 0.87 115.15 121.00 2qa4 h HIS 18 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 2qa4 h HIS 18 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 2qa4 h HIS 18 CO 0.61 0.00 0.00 1.63 -0.00 0.00 0.00 177.93 180.17 2qa4 n LYS 19 N -2.24 0.72 -0.07 5.12 5.02 -1.26 -4.20 118.16 121.25 2qa4 n LYS 19 Ca -0.01 0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2qa4 n LYS 19 Cb 0.20 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 2qa4 n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2qa4 h ASN 20 N 0.00 0.00 -0.45 4.39 2.35 -1.09 -3.44 115.58 117.35 2qa4 h ASN 20 Ca 0.00 -0.18 -0.56 0.00 -0.55 0.00 0.00 56.30 55.02 2qa4 h ASN 20 Cb 0.04 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 2qa4 h ASN 20 CO 0.00 0.80 1.95 0.54 -1.65 0.00 0.00 177.43 179.08 2qa4 n ARG 21 N -4.64 2.28 0.00 0.81 1.74 -1.26 -4.76 116.66 110.83 2qa4 n ARG 21 Ca -0.09 -2.64 0.00 0.00 -0.77 0.00 0.00 57.85 54.35 2qa4 n ARG 21 Cb 0.26 -3.45 0.00 0.00 -1.02 0.00 0.00 32.46 28.25 2qa4 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qa4 n ARG 22 N 7.78 3.50 0.00 5.56 1.74 -1.26 -5.16 116.66 128.83 2qa4 n ARG 22 Ca 0.48 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 2qa4 n ARG 22 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 2qa4 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qa4 n GLY 23 N 4.51 -2.95 0.00 -0.13 0.00 -1.26 -4.78 105.19 100.58 2qa4 n GLY 23 Ca 0.00 -1.24 0.06 0.00 0.00 0.00 0.00 46.02 44.85 2qa4 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 n ALA 24 N -3.00 2.16 0.08 4.61 0.00 -1.26 -2.47 120.51 120.63 2qa4 n ALA 24 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 2qa4 n ALA 24 Cb 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.25 2qa4 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qa4 h GLY 25 N 3.09 0.30 2.00 0.00 0.00 -1.92 0.46 103.07 106.99 2qa4 h GLY 25 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2qa4 h GLY 25 CO 0.00 0.43 0.00 0.84 0.00 0.00 0.00 176.54 177.81 2qa4 h HIS 26 N 0.16 0.00 0.00 5.60 6.17 -1.78 -2.97 115.15 122.33 2qa4 h HIS 26 Ca -0.04 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 60.72 2qa4 h HIS 26 Cb 1.43 0.00 -0.06 0.00 2.52 0.00 0.00 27.41 31.30 2qa4 h HIS 26 CO 0.03 0.00 -2.18 0.54 0.71 0.00 0.00 177.93 177.03 2qa4 n ARG 27 N -2.64 1.10 -0.53 5.26 1.74 -1.07 -5.05 116.66 115.47 2qa4 n ARG 27 Ca 0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2qa4 n ARG 27 Cb 0.28 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2qa4 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qa4 n GLY 28 N 2.05 0.77 0.00 -0.13 0.00 0.14 -5.02 105.19 102.99 2qa4 n GLY 28 Ca -0.30 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2qa4 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 29 N -0.43 0.53 3.69 -0.02 0.00 0.03 -4.60 105.19 104.40 2qa4 n GLY 29 Ca 0.00 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2qa4 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qa4 s ARG 30 N -3.59 4.39 7.24 1.61 6.06 -1.26 -4.65 118.95 128.75 2qa4 s ARG 30 Ca 0.00 1.56 0.00 0.00 -2.50 0.00 0.00 55.73 54.79 2qa4 s ARG 30 Cb 0.00 -3.54 0.00 0.00 0.06 0.00 0.00 34.95 31.47 2qa4 s ARG 30 CO 0.00 -0.37 0.00 0.41 -2.50 0.00 0.00 175.30 172.84 2qa4 n GLY 31 N 3.24 2.13 0.51 8.12 0.00 -1.26 -3.26 105.19 114.67 2qa4 n GLY 31 Ca 0.10 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.85 2qa4 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qa4 n ASP 32 N 7.32 1.55 -4.36 1.61 8.00 -1.26 -5.00 116.55 124.41 2qa4 n ASP 32 Ca 0.00 -1.67 -0.45 0.00 0.71 0.00 0.00 54.79 53.38 2qa4 n ASP 32 Cb 0.00 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 2qa4 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qa4 n ALA 33 N 0.24 -2.86 -2.24 2.24 0.00 -1.20 -2.30 120.51 114.40 2qa4 n ALA 33 Ca 0.16 0.30 -0.16 0.00 0.00 0.00 0.00 53.44 53.75 2qa4 n ALA 33 Cb 0.32 -1.57 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 2qa4 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa4 n GLY 34 N 2.12 -0.14 0.12 0.00 0.00 -1.26 -4.74 105.19 101.28 2qa4 n GLY 34 Ca 0.15 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.05 2qa4 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qa4 n ARG 35 N -2.52 0.15 -0.00 1.61 -4.01 -0.97 -2.37 116.66 108.55 2qa4 n ARG 35 Ca -0.19 0.45 0.02 0.00 -1.04 0.00 0.00 57.85 57.10 2qa4 n ARG 35 Cb 0.63 -1.83 -0.03 0.00 -3.04 0.00 0.00 32.46 28.19 2qa4 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 2qa4 n ASP 36 N -2.12 1.02 0.00 2.89 5.75 -1.26 -3.47 116.55 119.35 2qa4 n ASP 36 Ca 0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 54.79 54.31 2qa4 n ASP 36 Cb 0.17 1.05 0.00 0.00 -1.03 0.00 0.00 41.12 41.31 2qa4 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qa4 n LYS 37 N -1.24 0.00 0.04 0.11 4.76 -1.11 -4.63 118.16 116.10 2qa4 n LYS 37 Ca 0.01 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.31 2qa4 n LYS 37 Cb 0.09 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.25 2qa4 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 2qa4 h HIS 38 N 0.00 0.72 -0.81 2.13 2.07 -1.93 -3.31 115.15 114.02 2qa4 h HIS 38 Ca 0.00 -0.35 -0.33 0.00 -2.85 0.00 0.00 60.37 56.84 2qa4 h HIS 38 Cb 0.00 -0.10 -0.20 0.00 2.57 0.00 0.00 27.41 29.68 2qa4 h HIS 38 CO 0.00 1.15 0.40 0.39 -3.07 0.00 0.00 177.93 176.80 2qa4 n GLU 39 N -3.82 3.01 0.34 5.12 1.02 -1.00 -4.57 120.64 120.74 2qa4 n GLU 39 Ca -0.06 -3.06 0.22 0.00 -0.02 0.00 0.00 57.16 54.23 2qa4 n GLU 39 Cb 0.78 -2.17 1.17 0.00 -0.02 0.00 0.00 31.44 31.20 2qa4 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2qa4 h PHE 40 N 1.88 0.00 -3.42 -0.32 -5.15 -1.65 -3.42 116.94 104.86 2qa4 h PHE 40 Ca 0.41 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.65 2qa4 h PHE 40 Cb 2.50 0.00 0.09 0.00 0.22 0.00 0.00 35.95 38.76 2qa4 h PHE 40 CO 1.38 0.00 0.88 0.72 -2.00 0.00 0.00 178.31 179.30 2qa4 n HIS 41 N -3.05 2.93 -0.99 6.09 8.25 -1.26 -2.28 115.22 124.90 2qa4 n HIS 41 Ca -0.03 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 2qa4 n HIS 41 Cb 0.12 -2.60 0.00 0.00 1.12 0.00 0.00 29.99 28.63 2qa4 n HIS 41 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2qa4 n ASN 42 N 1.89 -5.10 -4.64 0.41 5.03 -1.26 -4.98 115.26 106.61 2qa4 n ASN 42 Ca 0.07 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.18 2qa4 n ASN 42 Cb 0.37 -2.66 -0.10 0.00 -1.02 0.00 0.00 39.78 36.37 2qa4 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2qa4 s HIS 43 N -1.28 3.24 0.51 3.10 3.76 -0.97 -5.09 115.29 118.57 2qa4 s HIS 43 Ca 0.00 0.07 -0.22 0.00 -0.15 0.00 0.00 55.06 54.76 2qa4 s HIS 43 Cb 0.00 -2.05 -0.06 0.00 1.11 0.00 0.00 32.58 31.59 2qa4 s HIS 43 CO 0.00 0.18 1.28 -1.21 -0.85 0.00 0.00 174.74 174.14 2qa4 s GLU 44 N 0.24 3.37 0.25 1.40 2.02 -1.26 -4.95 118.70 119.77 2qa4 s GLU 44 Ca 0.03 2.04 -0.31 0.00 0.02 0.00 0.00 54.97 56.76 2qa4 s GLU 44 Cb -0.12 -2.30 -0.14 0.00 0.10 0.00 0.00 34.13 31.67 2qa4 s GLU 44 CO 0.01 -0.95 1.26 -0.35 0.02 0.00 0.00 175.26 175.25 2qa4 n PRO 45 N -0.84 1.72 -1.81 0.39 -0.04 -1.26 -4.98 135.00 128.18 2qa4 n PRO 45 Ca 0.09 0.61 -0.35 0.00 -0.04 0.00 0.00 63.50 63.81 2qa4 n PRO 45 Cb 0.46 -2.16 0.05 0.00 -0.04 0.00 0.00 33.50 31.81 2qa4 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qa4 s LEU 46 N 0.13 3.51 0.00 1.53 1.43 -1.26 -4.96 118.68 119.07 2qa4 s LEU 46 Ca 0.66 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 2qa4 s LEU 46 Cb -0.69 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 40.94 2qa4 s LEU 46 CO 0.54 -1.76 0.00 0.61 0.23 0.00 0.00 176.35 175.97 2qa4 n GLY 47 N 0.22 1.54 3.86 -3.19 0.00 -1.26 -5.09 105.19 101.28 2qa4 n GLY 47 Ca 0.13 -2.15 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 2qa4 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qa4 s LYS 48 N -1.34 3.17 -0.20 1.61 1.02 -1.26 -5.12 119.74 117.62 2qa4 s LYS 48 Ca 0.00 -0.67 -0.05 0.00 0.02 0.00 0.00 55.97 55.27 2qa4 s LYS 48 Cb 0.00 -2.84 0.07 0.00 -0.52 0.00 0.00 37.83 34.55 2qa4 s LYS 48 CO 0.00 0.54 0.11 0.45 -0.92 0.00 0.00 175.35 175.53 2qa4 s SER 49 N -2.89 2.46 0.38 2.83 0.15 -1.26 -5.12 113.70 110.24 2qa4 s SER 49 Ca 0.32 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2qa4 s SER 49 Cb -0.11 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2qa4 s SER 49 CO 0.26 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2qa4 n GLY 50 N 5.28 0.59 3.69 9.45 0.00 -1.26 -4.98 105.19 117.96 2qa4 n GLY 50 Ca -0.07 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 2qa4 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qa4 s PHE 51 N 0.00 0.17 -0.01 1.61 -0.12 -1.26 -5.17 117.98 113.19 2qa4 s PHE 51 Ca 0.00 -0.56 0.01 0.00 -0.05 0.00 0.00 56.93 56.33 2qa4 s PHE 51 Cb 0.00 0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 2qa4 s PHE 51 CO 0.00 -1.08 -0.04 0.15 -0.05 0.00 0.00 175.22 174.19 2qa4 s LYS 52 N -3.98 0.45 0.30 1.99 1.02 -1.26 -5.14 119.74 113.12 2qa4 s LYS 52 Ca 0.18 -0.14 -0.25 0.00 0.02 0.00 0.00 55.97 55.78 2qa4 s LYS 52 Cb -0.03 -0.46 -0.09 0.00 -0.52 0.00 0.00 37.83 36.73 2qa4 s LYS 52 CO 0.08 0.06 0.90 1.03 -0.92 0.00 0.00 175.35 176.50 2qa4 s ARG 53 N 0.13 4.53 0.30 1.68 0.52 -1.26 -4.98 118.95 119.87 2qa4 s ARG 53 Ca -0.01 1.24 -0.25 0.00 -0.52 0.00 0.00 55.73 56.18 2qa4 s ARG 53 Cb -0.05 -2.85 -0.15 0.00 0.52 0.00 0.00 34.95 32.42 2qa4 s ARG 53 CO -0.00 0.32 0.52 -0.35 0.02 0.00 0.00 175.30 175.81 2qa4 n PRO 54 N 0.66 0.35 -0.09 3.54 -0.04 -1.26 -4.82 135.00 133.32 2qa4 n PRO 54 Ca 0.01 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 2qa4 n PRO 54 Cb 0.50 -1.25 -0.09 0.00 -0.04 0.00 0.00 33.50 32.62 2qa4 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2qa4 h GLN 55 N 0.98 -0.44 0.00 0.54 4.20 -1.98 -2.81 115.11 115.61 2qa4 h GLN 55 Ca -0.34 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2qa4 h GLN 55 Cb 1.42 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.30 2qa4 h GLN 55 CO 0.54 -0.29 0.00 1.57 -0.67 0.00 0.00 178.83 179.98 2qa4 h LYS 56 N -0.46 0.00 -0.01 1.46 2.10 -2.05 -2.29 116.57 115.32 2qa4 h LYS 56 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2qa4 h LYS 56 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2qa4 h LYS 56 CO -0.54 0.00 -0.12 0.28 -2.00 0.00 0.00 179.45 177.07 2qa4 n VAL 57 N -2.81 0.00 -2.76 0.07 0.31 -1.06 -4.87 118.33 107.20 2qa4 n VAL 57 Ca -0.01 -0.21 -0.41 0.00 -0.01 0.00 0.00 64.34 63.71 2qa4 n VAL 57 Cb 0.16 0.50 -0.05 0.00 -0.91 0.00 0.00 33.84 33.55 2qa4 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2qa4 s GLN 58 N -2.22 4.69 -0.50 5.55 -0.21 -0.86 -5.02 119.66 121.08 2qa4 s GLN 58 Ca 0.32 1.41 -0.10 0.00 0.02 0.00 0.00 55.36 57.01 2qa4 s GLN 58 Cb 0.20 -3.37 0.13 0.00 1.00 0.00 0.00 33.01 30.97 2qa4 s GLN 58 CO 0.42 0.25 0.38 -1.21 -2.12 0.00 0.00 175.29 173.01 2qa4 s GLU 59 N -0.13 2.58 -0.34 2.91 2.02 -1.26 -5.06 118.70 119.41 2qa4 s GLU 59 Ca 0.45 -1.84 -0.24 0.00 0.02 0.00 0.00 54.97 53.37 2qa4 s GLU 59 Cb -0.23 -3.97 0.01 0.00 0.10 0.00 0.00 34.13 30.03 2qa4 s GLU 59 CO 0.29 -1.21 0.80 -2.00 0.02 0.00 0.00 175.26 173.16 2qa4 s GLU 60 N 1.24 3.85 0.04 1.61 2.12 -1.26 -4.98 118.70 121.32 2qa4 s GLU 60 Ca 0.07 0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.87 2qa4 s GLU 60 Cb -0.25 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.32 2qa4 s GLU 60 CO -0.01 -0.79 0.04 0.00 -0.54 0.00 0.00 175.26 173.96 2qa4 s ALA 61 N 3.08 3.43 -0.17 6.30 0.00 -1.26 -1.35 121.76 131.79 2qa4 s ALA 61 Ca 0.32 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 2qa4 s ALA 61 Cb -0.13 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2qa4 s ALA 61 CO 0.15 0.70 0.11 0.00 0.00 0.00 0.00 175.76 176.72 2qa4 s ALA 62 N -1.24 3.67 0.13 0.00 0.00 -0.81 -4.99 121.76 118.51 2qa4 s ALA 62 Ca 0.24 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.61 2qa4 s ALA 62 Cb -0.12 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2qa4 s ALA 62 CO 0.16 0.32 -0.22 0.95 0.00 0.00 0.00 175.76 176.97 2qa4 s THR 63 N -0.12 1.95 -0.07 0.00 -4.23 -1.26 -1.21 115.64 110.70 2qa4 s THR 63 Ca 0.09 -1.72 -0.10 0.00 -1.18 0.00 0.00 61.69 58.79 2qa4 s THR 63 Cb -0.12 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 71.96 2qa4 s THR 63 CO 0.00 -0.07 0.25 -0.51 -0.54 0.00 0.00 174.62 173.75 2qa4 s ILE 64 N -1.35 0.02 0.33 2.99 2.07 -0.91 -4.98 121.20 119.38 2qa4 s ILE 64 Ca 0.12 -0.19 -0.19 0.00 -1.41 0.00 0.00 60.65 58.97 2qa4 s ILE 64 Cb -0.09 -0.42 -0.10 0.00 0.13 0.00 0.00 42.46 41.98 2qa4 s ILE 64 CO 0.06 -0.11 0.82 -1.81 -1.91 0.00 0.00 174.94 171.99 2qa4 s ASP 65 N -0.37 6.95 0.66 4.50 1.01 -1.26 -1.27 116.67 126.88 2qa4 s ASP 65 Ca -0.05 1.49 0.42 0.00 0.71 0.00 0.00 52.55 55.13 2qa4 s ASP 65 Cb -0.03 -2.45 2.34 0.00 1.01 0.00 0.00 42.92 43.78 2qa4 s ASP 65 CO 0.01 -0.19 2.35 -0.37 0.21 0.00 0.00 175.17 177.19 2qa4 h VAL 66 N 2.18 0.08 0.17 -1.27 -1.51 -1.51 -2.50 116.25 111.88 2qa4 h VAL 66 Ca -0.48 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 64.98 2qa4 h VAL 66 Cb 1.18 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2qa4 h VAL 66 CO 0.64 0.00 -0.08 -0.09 -1.23 0.00 0.00 177.57 176.81 2qa4 h ARG 67 N 0.00 -0.22 0.00 5.19 2.43 -1.76 -1.10 114.38 118.91 2qa4 h ARG 67 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2qa4 h ARG 67 Cb 0.01 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2qa4 h ARG 67 CO -0.00 0.21 -0.05 1.49 -1.51 0.00 0.00 179.97 180.11 2qa4 h GLU 68 N -0.80 0.00 0.23 0.20 4.81 -1.77 0.25 114.58 117.50 2qa4 h GLU 68 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2qa4 h GLU 68 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2qa4 h GLU 68 CO 0.04 0.05 -0.11 0.82 -0.73 0.00 0.00 179.01 179.07 2qa4 h ILE 69 N 0.00 0.36 -0.24 2.32 2.04 -1.49 -3.27 117.51 117.23 2qa4 h ILE 69 Ca -0.00 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 64.96 2qa4 h ILE 69 Cb 0.12 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2qa4 h ILE 69 CO 0.01 0.10 0.10 -0.78 0.00 0.00 0.00 178.15 177.57 2qa4 h ASP 70 N -1.02 0.12 0.00 1.72 3.58 -0.80 -2.31 116.42 117.71 2qa4 h ASP 70 Ca -0.03 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2qa4 h ASP 70 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2qa4 h ASP 70 CO 0.05 0.10 0.20 -0.33 -2.88 0.00 0.00 179.24 176.38 2qa4 h GLU 71 N 0.22 0.00 0.00 0.28 5.08 -0.65 -2.21 114.58 117.29 2qa4 h GLU 71 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2qa4 h GLU 71 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2qa4 h GLU 71 CO -0.09 0.00 -0.00 0.09 -1.00 0.00 0.00 179.01 178.00 2qa4 n ASN 72 N -2.94 2.24 -0.15 1.42 3.02 -0.89 -4.76 115.26 113.20 2qa4 n ASN 72 Ca -0.02 -2.76 -0.06 0.00 -0.03 0.00 0.00 54.58 51.71 2qa4 n ASN 72 Cb 0.25 -0.30 0.03 0.00 -0.61 0.00 0.00 39.78 39.16 2qa4 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2qa4 h VAL 73 N 0.02 1.01 0.41 2.41 -1.51 -1.17 -1.38 116.25 116.04 2qa4 h VAL 73 Ca 0.00 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 65.28 2qa4 h VAL 73 Cb 0.85 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.45 2qa4 h VAL 73 CO 0.00 0.09 -0.26 0.71 -1.23 0.00 0.00 177.57 176.88 2qa4 h THR 74 N 0.51 0.46 -0.03 7.19 1.35 -1.85 -2.48 112.91 118.06 2qa4 h THR 74 Ca 0.20 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.06 2qa4 h THR 74 Cb 0.06 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 66.94 2qa4 h THR 74 CO -0.11 0.00 0.03 -0.07 -0.25 0.00 0.00 175.52 175.12 2qa4 h LEU 75 N -0.65 0.00 -5.33 3.87 3.38 -1.86 -3.11 115.31 111.61 2qa4 h LEU 75 Ca -0.04 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.22 2qa4 h LEU 75 Cb 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2qa4 h LEU 75 CO 0.04 0.00 3.22 0.18 0.09 0.00 0.00 178.44 181.98 2qa4 n LEU 76 N -3.85 8.38 0.25 1.67 4.77 -0.53 -4.61 117.00 123.08 2qa4 n LEU 76 Ca -0.02 -4.57 0.11 0.00 -0.03 0.00 0.00 56.01 51.49 2qa4 n LEU 76 Cb 0.12 -1.48 0.66 0.00 -2.33 0.00 0.00 43.42 40.39 2qa4 n LEU 76 CO 0.27 2.02 0.95 0.00 -1.33 0.00 0.00 177.39 179.30 2qa4 h ALA 77 N 4.90 1.38 -0.02 -1.18 0.00 -1.72 -2.44 119.26 120.17 2qa4 h ALA 77 Ca 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.57 2qa4 h ALA 77 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qa4 h ALA 77 CO 1.67 0.18 0.00 0.00 0.00 0.00 0.00 179.25 181.10 2qa4 n ALA 78 N -2.34 2.58 -4.02 0.00 0.00 -1.26 -4.74 120.51 110.73 2qa4 n ALA 78 Ca -0.02 -0.13 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 2qa4 n ALA 78 Cb 0.25 -1.23 -0.16 0.00 0.00 0.00 0.00 19.45 18.31 2qa4 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qa4 s ASP 79 N -1.47 3.25 0.00 0.00 1.01 -0.92 -5.08 116.67 113.46 2qa4 s ASP 79 Ca 0.23 -0.79 0.00 0.00 0.71 0.00 0.00 52.55 52.71 2qa4 s ASP 79 Cb 0.11 -1.28 0.00 0.00 1.01 0.00 0.00 42.92 42.76 2qa4 s ASP 79 CO 0.18 -0.10 0.00 0.47 0.21 0.00 0.00 175.17 175.93 2qa4 n ASP 80 N 4.68 0.00 -4.46 0.27 9.92 -1.24 -4.76 116.55 120.95 2qa4 n ASP 80 Ca -0.16 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 53.84 2qa4 n ASP 80 Cb 0.48 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.85 2qa4 n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2qa4 s VAL 81 N 0.00 2.52 0.00 2.53 1.01 -1.26 -2.46 120.40 122.74 2qa4 s VAL 81 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 61.98 59.84 2qa4 s VAL 81 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2qa4 s VAL 81 CO 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 175.10 174.87 2qa4 n ALA 82 N -0.14 0.00 0.12 5.51 0.00 -1.26 -4.77 120.51 119.97 2qa4 n ALA 82 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.35 2qa4 n ALA 82 Cb 0.58 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.06 2qa4 n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qa4 n GLU 83 N 0.00 0.02 -2.25 0.00 0.28 -1.26 -4.98 120.64 112.44 2qa4 n GLU 83 Ca 0.00 0.37 -0.26 0.00 -0.16 0.00 0.00 57.16 57.11 2qa4 n GLU 83 Cb 0.00 -2.19 0.05 0.00 1.43 0.00 0.00 31.44 30.73 2qa4 n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2qa4 s PHE 89 N -2.79 3.06 -0.14 -1.84 0.40 -0.81 -5.09 117.98 110.77 2qa4 s PHE 89 Ca -0.00 0.55 -0.06 0.00 -0.60 0.00 0.00 56.93 56.82 2qa4 s PHE 89 Cb 0.00 -3.02 0.06 0.00 0.51 0.00 0.00 43.02 40.57 2qa4 s PHE 89 CO 0.01 -1.19 0.32 0.50 0.70 0.00 0.00 175.22 175.56 2qa4 s ARG 90 N -5.16 0.25 -0.13 0.44 3.52 -1.03 -1.74 118.95 115.10 2qa4 s ARG 90 Ca 0.58 0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 56.82 2qa4 s ARG 90 Cb -0.11 0.00 0.04 0.00 -1.56 0.00 0.00 34.95 33.33 2qa4 s ARG 90 CO 0.45 -0.21 0.34 0.54 -0.81 0.00 0.00 175.30 175.61 2qa4 s VAL 91 N 1.85 -0.01 -0.53 7.11 0.11 -0.11 -3.67 120.40 125.14 2qa4 s VAL 91 Ca -0.05 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 58.84 2qa4 s VAL 91 Cb -0.11 -0.49 0.05 0.00 -1.53 0.00 0.00 36.38 34.31 2qa4 s VAL 91 CO -0.10 0.02 0.76 -0.62 -3.33 0.00 0.00 175.10 171.82 2qa4 s ASP 92 N 0.68 6.26 0.43 3.54 2.15 -1.26 -0.80 116.67 127.67 2qa4 s ASP 92 Ca -0.04 -0.73 0.17 0.00 0.43 0.00 0.00 52.55 52.39 2qa4 s ASP 92 Cb -0.05 -2.35 1.09 0.00 -0.30 0.00 0.00 42.92 41.31 2qa4 s ASP 92 CO -0.04 -1.04 1.89 0.58 -0.17 0.00 0.00 175.17 176.39 2qa4 h VAL 93 N 5.93 0.74 0.00 1.11 2.07 -1.13 -1.01 116.25 123.95 2qa4 h VAL 93 Ca -0.27 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2qa4 h VAL 93 Cb 1.09 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2qa4 h VAL 93 CO 1.02 0.07 0.11 0.54 0.02 0.00 0.00 177.57 179.33 2qa4 n ARG 94 N -4.48 0.00 -0.09 1.57 1.74 -1.26 0.75 116.66 114.89 2qa4 n ARG 94 Ca 0.16 0.26 0.04 0.00 -0.77 0.00 0.00 57.85 57.54 2qa4 n ARG 94 Cb 0.62 -1.61 0.08 0.00 -1.02 0.00 0.00 32.46 30.53 2qa4 n ARG 94 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2qa4 n ASP 95 N -1.23 2.39 -0.05 0.55 8.00 -0.38 -4.74 116.55 121.09 2qa4 n ASP 95 Ca 0.00 -1.86 -0.10 0.00 0.71 0.00 0.00 54.79 53.54 2qa4 n ASP 95 Cb 0.11 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 2qa4 n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2qa4 n VAL 96 N 0.20 0.57 -2.28 2.53 0.31 0.23 -5.02 118.33 114.87 2qa4 n VAL 96 Ca 0.07 -0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 63.82 2qa4 n VAL 96 Cb 0.33 -1.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.76 2qa4 n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qa4 s VAL 97 N -2.19 3.77 0.96 2.52 1.01 -1.17 -5.02 120.40 120.27 2qa4 s VAL 97 Ca -0.14 1.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.91 2qa4 s VAL 97 Cb 0.05 -3.76 0.17 0.00 0.00 0.00 0.00 36.38 32.83 2qa4 s VAL 97 CO 0.19 0.03 1.09 -1.61 0.00 0.00 0.00 175.10 174.80 2qa4 s GLU 98 N 1.94 0.71 -0.04 2.72 2.02 -1.26 -3.10 118.70 121.68 2qa4 s GLU 98 Ca 0.62 0.96 0.00 0.00 0.02 0.00 0.00 54.97 56.57 2qa4 s GLU 98 Cb -0.31 -1.73 0.00 0.00 0.10 0.00 0.00 34.13 32.18 2qa4 s GLU 98 CO 0.27 -2.66 0.00 0.39 0.02 0.00 0.00 175.26 173.28 2qa4 n GLU 99 N -4.19 -1.03 0.00 1.61 1.02 -1.26 -4.87 120.64 111.93 2qa4 n GLU 99 Ca 0.07 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2qa4 n GLU 99 Cb 0.54 -4.07 0.00 0.00 -0.02 0.00 0.00 31.44 27.90 2qa4 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qa4 n ALA 100 N 1.01 2.38 -0.02 0.62 0.00 -1.18 -3.72 120.51 119.59 2qa4 n ALA 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qa4 n ALA 100 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2qa4 n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qa4 n ASP 101 N -0.17 0.00 0.00 0.00 8.00 -1.26 -4.65 116.55 118.46 2qa4 n ASP 101 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 2qa4 n ASP 101 Cb 0.14 -0.31 0.11 0.00 -0.02 0.00 0.00 41.12 41.04 2qa4 n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2qa4 n ASP 102 N -2.48 0.00 -4.79 -2.24 5.75 -1.26 -4.60 116.55 106.93 2qa4 n ASP 102 Ca 0.00 0.23 -0.37 0.00 -0.01 0.00 0.00 54.79 54.64 2qa4 n ASP 102 Cb 0.00 -0.29 -0.07 0.00 -1.03 0.00 0.00 41.12 39.74 2qa4 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qa4 s ALA 103 N -2.58 3.68 0.41 2.12 0.00 -1.24 -4.97 121.76 119.18 2qa4 s ALA 103 Ca 0.04 -0.43 0.14 0.00 0.00 0.00 0.00 51.96 51.71 2qa4 s ALA 103 Cb 0.03 -2.30 1.00 0.00 0.00 0.00 0.00 23.12 21.85 2qa4 s ALA 103 CO 0.07 0.31 1.89 -0.44 0.00 0.00 0.00 175.76 177.59 2qa4 h ASP 104 N 5.79 0.46 -4.40 0.00 3.32 -1.47 -3.45 116.42 116.66 2qa4 h ASP 104 Ca -0.47 0.03 0.10 0.00 0.02 0.00 0.00 57.03 56.71 2qa4 h ASP 104 Cb 1.19 -0.06 -0.19 0.00 0.22 0.00 0.00 39.33 40.50 2qa4 h ASP 104 CO 0.68 0.22 0.53 -0.72 -1.72 0.00 0.00 179.24 178.23 2qa4 s TYR 105 N -5.48 -0.35 0.03 4.55 -0.85 -1.26 -5.07 117.35 108.93 2qa4 s TYR 105 Ca -0.08 0.41 -0.14 0.00 -0.52 0.00 0.00 57.07 56.74 2qa4 s TYR 105 Cb 0.22 0.49 -0.06 0.00 0.38 0.00 0.00 41.96 42.99 2qa4 s TYR 105 CO 0.78 -0.44 0.43 0.08 -1.52 0.00 0.00 175.55 174.87 2qa4 s VAL 106 N -2.15 5.02 0.00 -3.49 1.01 -1.26 -1.92 120.40 117.60 2qa4 s VAL 106 Ca 0.02 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.77 2qa4 s VAL 106 Cb -0.01 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 2qa4 s VAL 106 CO -0.04 0.48 -0.04 -0.75 0.00 0.00 0.00 175.10 174.76 2qa4 s LYS 107 N -1.35 0.31 -0.20 2.72 2.20 -0.35 -2.76 119.74 120.31 2qa4 s LYS 107 Ca 0.27 -0.18 -0.09 0.00 -0.36 0.00 0.00 55.97 55.61 2qa4 s LYS 107 Cb -0.16 -0.27 -0.05 0.00 -1.51 0.00 0.00 37.83 35.84 2qa4 s LYS 107 CO 0.15 0.07 0.11 0.08 -0.36 0.00 0.00 175.35 175.41 2qa4 s VAL 108 N -0.20 5.22 -0.07 4.02 1.01 -0.03 -2.14 120.40 128.21 2qa4 s VAL 108 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2qa4 s VAL 108 Cb -0.02 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2qa4 s VAL 108 CO -0.00 0.44 -0.03 -0.76 0.00 0.00 0.00 175.10 174.75 2qa4 s LEU 109 N 0.42 3.42 -0.74 3.92 1.43 -0.40 -2.98 118.68 123.76 2qa4 s LEU 109 Ca 0.07 0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 53.03 2qa4 s LEU 109 Cb -0.12 -1.79 0.10 0.00 0.03 0.00 0.00 46.19 44.41 2qa4 s LEU 109 CO -0.01 0.36 0.97 -0.83 0.23 0.00 0.00 176.35 177.08 2qa4 s GLY 110 N -0.92 1.63 -0.12 -3.19 0.00 -1.26 -1.76 107.32 101.70 2qa4 s GLY 110 Ca 0.13 -2.22 -0.05 0.00 0.00 0.00 0.00 44.72 42.58 2qa4 s GLY 110 CO 0.03 1.96 0.25 0.00 0.00 0.00 0.00 173.10 175.34 2qa4 s ALA 111 N 3.36 -0.55 0.00 3.20 0.00 -1.26 -4.72 121.76 121.79 2qa4 s ALA 111 Ca 0.24 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2qa4 s ALA 111 Cb -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2qa4 s ALA 111 CO 0.03 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.75 2qa4 n GLY 112 N 4.87 -0.16 3.48 0.00 0.00 -1.26 -3.21 105.19 108.91 2qa4 n GLY 112 Ca -0.14 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 43.70 2qa4 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qa4 s GLN 113 N 0.00 1.68 -0.31 1.61 -0.21 -1.26 -4.97 119.66 116.21 2qa4 s GLN 113 Ca 0.00 -1.81 0.02 0.00 0.02 0.00 0.00 55.36 53.59 2qa4 s GLN 113 Cb 0.00 -1.62 0.09 0.00 1.00 0.00 0.00 33.01 32.48 2qa4 s GLN 113 CO 0.00 0.22 0.04 0.08 -2.12 0.00 0.00 175.29 173.51 2qa4 s VAL 114 N -2.64 1.64 -1.13 1.09 1.01 -1.26 -4.45 120.40 114.66 2qa4 s VAL 114 Ca 0.30 -1.77 0.11 0.00 0.00 0.00 0.00 61.98 60.63 2qa4 s VAL 114 Cb -0.01 -2.14 0.49 0.00 0.00 0.00 0.00 36.38 34.72 2qa4 s VAL 114 CO 0.14 -0.50 1.33 0.54 0.00 0.00 0.00 175.10 176.61 2qa4 n ARG 115 N 4.55 2.95 -3.88 2.72 1.74 -1.26 -4.77 116.66 118.71 2qa4 n ARG 115 Ca -0.02 -1.92 -0.09 0.00 -0.77 0.00 0.00 57.85 55.04 2qa4 n ARG 115 Cb 0.42 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 2qa4 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2qa4 s HIS 116 N -1.82 0.21 -0.28 -1.55 3.76 -1.26 -5.12 115.29 109.23 2qa4 s HIS 116 Ca 0.34 -0.57 -0.27 0.00 -0.15 0.00 0.00 55.06 54.41 2qa4 s HIS 116 Cb 0.23 0.08 0.01 0.00 1.11 0.00 0.00 32.58 34.01 2qa4 s HIS 116 CO 0.15 -0.76 0.96 -1.83 -0.85 0.00 0.00 174.74 172.42 2qa4 s GLU 117 N -3.93 4.11 -0.10 1.40 -1.05 -1.26 -4.82 118.70 113.07 2qa4 s GLU 117 Ca 0.13 1.02 0.01 0.00 -0.15 0.00 0.00 54.97 55.98 2qa4 s GLU 117 Cb 0.02 -3.69 -0.02 0.00 -0.44 0.00 0.00 34.13 29.99 2qa4 s GLU 117 CO -0.02 -0.72 -0.12 -0.51 0.95 0.00 0.00 175.26 174.84 2qa4 s LEU 118 N 3.25 2.84 -0.70 1.83 1.43 -1.26 -1.93 118.68 124.14 2qa4 s LEU 118 Ca 0.40 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.24 2qa4 s LEU 118 Cb -0.14 -1.62 0.18 0.00 0.03 0.00 0.00 46.19 44.64 2qa4 s LEU 118 CO 0.11 0.25 0.55 -0.89 0.23 0.00 0.00 176.35 176.60 2qa4 s THR 119 N -0.15 4.10 -0.08 5.49 2.01 -0.71 0.54 115.64 126.84 2qa4 s THR 119 Ca 0.00 -3.06 -0.17 0.00 0.31 0.00 0.00 61.69 58.77 2qa4 s THR 119 Cb -0.13 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2qa4 s THR 119 CO 0.03 -0.94 0.46 -0.76 -0.69 0.00 0.00 174.62 172.73 2qa4 s LEU 120 N -0.27 4.34 -0.24 4.42 1.43 -0.60 -0.93 118.68 126.83 2qa4 s LEU 120 Ca 0.19 0.87 -0.00 0.00 -1.03 0.00 0.00 54.13 54.16 2qa4 s LEU 120 Cb -0.17 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.42 2qa4 s LEU 120 CO -0.06 0.10 -0.09 -0.63 0.23 0.00 0.00 176.35 175.90 2qa4 s ILE 121 N 0.09 2.58 0.35 -0.59 1.01 0.02 -0.60 121.20 124.05 2qa4 s ILE 121 Ca 0.25 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.72 2qa4 s ILE 121 Cb -0.16 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 2qa4 s ILE 121 CO 0.11 0.18 0.45 0.00 0.00 0.00 0.00 174.94 175.68 2qa4 s ALA 122 N 1.26 1.05 -0.29 9.38 0.00 -1.12 -0.41 121.76 131.62 2qa4 s ALA 122 Ca -0.02 -1.67 0.23 0.00 0.00 0.00 0.00 51.96 50.50 2qa4 s ALA 122 Cb -0.17 1.22 0.09 0.00 0.00 0.00 0.00 23.12 24.26 2qa4 s ALA 122 CO -0.06 -0.77 1.19 -0.44 0.00 0.00 0.00 175.76 175.68 2qa4 h ASP 123 N 2.08 0.00 -3.72 0.00 3.32 -1.84 -0.66 116.42 115.60 2qa4 h ASP 123 Ca -0.27 -0.01 0.14 0.00 0.02 0.00 0.00 57.03 56.91 2qa4 h ASP 123 Cb 1.24 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.54 2qa4 h ASP 123 CO 0.38 0.00 0.69 -0.62 -1.72 0.00 0.00 179.24 177.97 2qa4 s ASP 124 N -5.54 -0.25 0.20 6.45 2.15 -1.11 -4.03 116.67 114.55 2qa4 s ASP 124 Ca 0.01 0.28 0.03 0.00 0.43 0.00 0.00 52.55 53.30 2qa4 s ASP 124 Cb 0.09 0.21 -0.05 0.00 -0.30 0.00 0.00 42.92 42.87 2qa4 s ASP 124 CO 0.76 -0.23 -0.01 -0.36 -0.17 0.00 0.00 175.17 175.17 2qa4 s PHE 125 N -1.04 1.41 0.29 -5.34 0.40 -1.26 -0.86 117.98 111.58 2qa4 s PHE 125 Ca 0.02 -0.95 0.03 0.00 -0.60 0.00 0.00 56.93 55.44 2qa4 s PHE 125 Cb -0.01 -0.80 0.05 0.00 0.51 0.00 0.00 43.02 42.77 2qa4 s PHE 125 CO -0.02 -0.10 0.39 -1.13 0.70 0.00 0.00 175.22 175.07 2qa4 n SER 126 N -0.34 0.88 0.03 1.36 3.41 -1.16 -4.95 113.62 112.86 2qa4 n SER 126 Ca -0.06 -1.66 -0.19 0.00 -0.26 0.00 0.00 58.87 56.70 2qa4 n SER 126 Cb 0.63 -0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 2qa4 n SER 126 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2qa4 h GLU 127 N 0.00 0.62 -0.16 4.33 5.08 -2.00 -3.00 114.58 119.45 2qa4 h GLU 127 Ca -0.13 -0.66 -0.05 0.00 -1.00 0.00 0.00 59.36 57.51 2qa4 h GLU 127 Cb 0.57 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2qa4 h GLU 127 CO 0.17 1.26 -0.14 0.78 -1.00 0.00 0.00 179.01 180.09 2qa4 h GLY 128 N 0.25 0.28 0.64 -3.84 0.00 -1.95 -2.05 103.07 96.39 2qa4 h GLY 128 Ca -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2qa4 h GLY 128 CO 0.18 0.16 -0.31 0.00 0.00 0.00 0.00 176.54 176.57 2qa4 h ALA 129 N 1.62 -1.18 -0.20 3.60 0.00 -1.84 -2.52 119.26 118.74 2qa4 h ALA 129 Ca 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2qa4 h ALA 129 Cb 0.40 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2qa4 h ALA 129 CO 0.02 -1.12 -0.52 0.00 0.00 0.00 0.00 179.25 177.63 2qa4 h ARG 130 N -0.89 -0.49 -0.21 0.00 3.08 -1.38 -2.86 114.38 111.62 2qa4 h ARG 130 Ca -0.09 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.04 2qa4 h ARG 130 Cb 0.66 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.74 2qa4 h ARG 130 CO 0.14 -0.32 -0.44 0.93 -1.07 0.00 0.00 179.97 179.21 2qa4 h GLU 131 N -0.51 -0.44 -0.76 0.04 5.08 -1.45 -1.43 114.58 115.11 2qa4 h GLU 131 Ca 0.04 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.57 2qa4 h GLU 131 Cb 0.62 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 2qa4 h GLU 131 CO -0.46 -0.29 0.51 0.87 -1.00 0.00 0.00 179.01 178.63 2qa4 h LYS 132 N -0.46 0.47 0.26 2.33 1.57 -1.31 -0.80 116.57 118.63 2qa4 h LYS 132 Ca 0.09 -0.03 -0.34 0.00 -1.87 0.00 0.00 60.65 58.50 2qa4 h LYS 132 Cb 0.62 -0.11 0.04 0.00 0.08 0.00 0.00 32.23 32.86 2qa4 h LYS 132 CO -0.45 0.31 -1.50 0.28 -0.57 0.00 0.00 179.45 177.52 2qa4 h VAL 133 N 0.49 1.27 0.00 0.50 2.07 -1.21 -3.23 116.25 116.14 2qa4 h VAL 133 Ca 0.37 -2.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.19 2qa4 h VAL 133 Cb 0.76 3.04 -0.00 0.00 -1.52 0.00 0.00 31.29 33.57 2qa4 h VAL 133 CO -0.13 0.81 -0.01 -0.33 0.02 0.00 0.00 177.57 177.93 2qa4 h GLU 134 N 0.15 0.00 0.00 1.57 5.08 -0.95 0.55 114.58 120.98 2qa4 h GLU 134 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2qa4 h GLU 134 Cb 2.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.43 2qa4 h GLU 134 CO 0.28 0.01 -0.06 0.78 -1.00 0.00 0.00 179.01 179.01 2qa4 h GLY 135 N 2.43 0.00 -2.32 -3.84 0.00 -1.20 -2.70 103.07 95.44 2qa4 h GLY 135 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qa4 h GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2qa4 n ALA 136 N -1.90 2.40 -2.20 3.60 0.00 -1.00 -4.93 120.51 116.48 2qa4 n ALA 136 Ca 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2qa4 n ALA 136 Cb 0.47 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2qa4 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa4 n GLY 137 N 1.47 0.71 3.59 0.00 0.00 -1.02 -4.03 105.19 105.91 2qa4 n GLY 137 Ca 0.20 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 2qa4 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qa4 s GLY 138 N -2.97 2.30 0.13 -0.02 0.00 0.19 -4.42 107.32 102.54 2qa4 s GLY 138 Ca 0.00 -2.16 0.11 0.00 0.00 0.00 0.00 44.72 42.67 2qa4 s GLY 138 CO 0.00 -2.04 -0.26 -1.35 0.00 0.00 0.00 173.10 169.45 2qa4 s SER 139 N -3.67 3.24 -0.22 1.64 1.04 0.19 -3.71 113.70 112.20 2qa4 s SER 139 Ca 0.34 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 55.99 2qa4 s SER 139 Cb 0.05 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2qa4 s SER 139 CO 0.18 0.16 -0.06 -0.69 0.98 0.00 0.00 173.24 173.80 2qa4 s VAL 140 N -1.12 3.15 -0.22 5.02 1.01 -1.26 -1.55 120.40 125.43 2qa4 s VAL 140 Ca 0.14 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2qa4 s VAL 140 Cb -0.10 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.85 2qa4 s VAL 140 CO 0.06 0.40 -0.10 -1.61 0.00 0.00 0.00 175.10 173.85 2qa4 s GLU 141 N 1.44 3.00 -0.07 2.72 2.02 0.23 -4.99 118.70 123.04 2qa4 s GLU 141 Ca 0.05 -0.86 -0.26 0.00 0.02 0.00 0.00 54.97 53.92 2qa4 s GLU 141 Cb -0.14 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.21 2qa4 s GLU 141 CO -0.05 -0.29 0.83 -1.17 0.02 0.00 0.00 175.26 174.60 2qa4 s LEU 142 N 1.34 4.30 1.07 1.80 2.96 -1.26 -2.81 118.68 126.08 2qa4 s LEU 142 Ca 0.03 1.34 -0.12 0.00 -0.22 0.00 0.00 54.13 55.16 2qa4 s LEU 142 Cb -0.15 -3.28 0.23 0.00 0.50 0.00 0.00 46.19 43.49 2qa4 s LEU 142 CO -0.07 -0.23 1.06 -0.89 -1.32 0.00 0.00 176.35 174.90 2qa4 s THR 143 N 1.20 2.08 0.06 3.68 2.01 -0.26 -4.85 115.64 119.57 2qa4 s THR 143 Ca 0.43 0.03 0.33 0.00 0.31 0.00 0.00 61.69 62.78 2qa4 s THR 143 Cb -0.18 -2.30 0.38 0.00 0.01 0.00 0.00 72.50 70.41 2qa4 s THR 143 CO 0.20 -0.03 1.97 0.44 -0.69 0.00 0.00 174.62 176.51 2qa4 h ASP 144 N -2.24 0.00 0.97 3.53 3.32 -1.95 -0.08 116.42 119.97 2qa4 h ASP 144 Ca -0.57 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.37 2qa4 h ASP 144 Cb 1.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 2qa4 h ASP 144 CO 0.54 0.00 -0.52 0.25 -1.72 0.00 0.00 179.24 177.79 2qa4 h LEU 145 N 0.00 0.00 0.00 1.55 6.46 -1.91 -2.68 115.31 118.73 2qa4 h LEU 145 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2qa4 h LEU 145 Cb 0.48 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2qa4 h LEU 145 CO 0.00 0.52 0.00 0.61 -0.62 0.00 0.00 178.44 178.95 2qa4 n GLY 146 N 0.59 -0.89 1.79 3.75 0.00 -0.05 -3.90 105.19 106.48 2qa4 n GLY 146 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2qa4 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qa4 n GLU 147 N -0.76 1.55 0.00 1.61 1.02 -1.01 -3.34 120.64 119.72 2qa4 n GLU 147 Ca 0.11 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.26 2qa4 n GLU 147 Cb 0.05 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2qa4 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2qa4 n GLU 148 N 0.97 2.43 -2.47 3.49 1.02 -1.25 -4.95 120.64 119.88 2qa4 n GLU 148 Ca 0.21 -1.32 -0.43 0.00 -0.02 0.00 0.00 57.16 55.60 2qa4 n GLU 148 Cb 0.57 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 2qa4 n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2qa4 n ARG 149 N -0.41 3.16 0.00 3.49 1.74 -1.21 -5.25 116.66 118.18 2qa4 n ARG 149 Ca 0.00 -3.21 0.00 0.00 -0.77 0.00 0.00 57.85 53.87 2qa4 n ARG 149 Cb 0.27 -3.44 0.00 0.00 -1.02 0.00 0.00 32.46 28.27 2qa4 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05