#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf s THR 2 N 0.00 3.39 0.09 0.00 -4.23 -1.26 -4.90 115.64 108.72 2qbf s THR 2 Ca 0.00 0.45 -0.35 0.00 -1.18 0.00 0.00 61.69 60.61 2qbf s THR 2 Cb 0.00 -3.03 -0.16 0.00 1.34 0.00 0.00 72.50 70.64 2qbf s THR 2 CO 0.00 -0.59 1.57 0.58 -0.54 0.00 0.00 174.62 175.65 2qbf h VAL 3 N -1.08 0.06 -0.98 2.29 2.07 -2.05 -2.52 116.25 114.05 2qbf h VAL 3 Ca -0.45 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.42 2qbf h VAL 3 Cb 1.24 0.06 -0.17 0.00 -1.52 0.00 0.00 31.29 30.90 2qbf h VAL 3 CO 0.54 0.00 0.42 0.78 0.02 0.00 0.00 177.57 179.33 2qbf h ASN 4 N -0.96 0.19 0.74 0.57 4.21 -2.00 -0.14 115.58 118.19 2qbf h ASN 4 Ca -0.06 0.24 -0.04 0.00 1.21 0.00 0.00 56.30 57.66 2qbf h ASN 4 Cb 0.84 0.27 0.01 0.00 -1.12 0.00 0.00 38.32 38.32 2qbf h ASN 4 CO -0.06 -0.31 -0.35 1.56 -1.29 0.00 0.00 177.43 176.98 2qbf h GLN 5 N 0.12 -0.96 -0.91 0.81 4.20 -1.83 -2.62 115.11 113.92 2qbf h GLN 5 Ca 0.74 0.07 0.18 0.00 0.06 0.00 0.00 58.65 59.69 2qbf h GLN 5 Cb 1.77 0.22 -0.07 0.00 0.30 0.00 0.00 27.48 29.70 2qbf h GLN 5 CO -0.74 -0.62 0.59 -0.07 -0.67 0.00 0.00 178.83 177.32 2qbf h LEU 6 N -1.05 0.54 -0.63 1.46 3.38 -0.85 0.18 115.31 118.33 2qbf h LEU 6 Ca -0.10 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2qbf h LEU 6 Cb 0.77 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2qbf h LEU 6 CO 0.17 0.23 0.33 0.58 0.09 0.00 0.00 178.44 179.84 2qbf h VAL 7 N 0.55 1.21 0.00 1.22 2.07 -1.15 0.43 116.25 120.58 2qbf h VAL 7 Ca 0.48 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 2qbf h VAL 7 Cb 0.99 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2qbf h VAL 7 CO -0.21 0.23 -0.51 0.03 0.02 0.00 0.00 177.57 177.13 2qbf h ARG 8 N 0.87 0.00 -1.67 1.57 3.08 -0.67 -3.40 114.38 114.17 2qbf h ARG 8 Ca 0.22 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.94 2qbf h ARG 8 Cb 0.08 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 29.86 2qbf h ARG 8 CO -0.03 0.51 -0.68 0.21 -1.07 0.00 0.00 179.97 178.91 2qbf s LYS 9 N -3.18 0.86 1.10 0.04 2.47 0.45 -5.11 119.74 116.37 2qbf s LYS 9 Ca 0.02 -1.19 -0.20 0.00 -1.56 0.00 0.00 55.97 53.03 2qbf s LYS 9 Cb 0.09 -0.61 0.05 0.00 -1.46 0.00 0.00 37.83 35.90 2qbf s LYS 9 CO 0.73 -1.29 -0.31 -2.30 0.16 0.00 0.00 175.35 172.34 2qbf n PRO 10 N 3.49 -1.35 -2.40 4.03 -0.02 0.15 -4.26 135.00 134.64 2qbf n PRO 10 Ca 0.18 -0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 60.86 2qbf n PRO 10 Cb 0.50 -1.55 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 2qbf n PRO 10 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qbf s ARG 11 N -3.15 4.35 0.01 -0.52 1.81 -1.26 -5.00 118.95 115.19 2qbf s ARG 11 Ca 0.51 1.75 -0.22 0.00 -1.72 0.00 0.00 55.73 56.04 2qbf s ARG 11 Cb -0.07 -3.53 -0.05 0.00 -0.45 0.00 0.00 34.95 30.85 2qbf s ARG 11 CO 0.64 -0.45 0.67 0.00 -0.68 0.00 0.00 175.30 175.48 2qbf s ALA 12 N 2.10 3.43 0.00 2.13 0.00 -1.26 -5.06 121.76 123.10 2qbf s ALA 12 Ca 0.58 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2qbf s ALA 12 Cb -0.27 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2qbf s ALA 12 CO 0.24 0.11 0.00 0.54 0.00 0.00 0.00 175.76 176.65 2qbf n ARG 13 N 2.81 0.00 -3.64 0.00 5.12 -1.26 -5.11 116.66 114.59 2qbf n ARG 13 Ca -0.05 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.83 2qbf n ARG 13 Cb 0.51 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.74 2qbf n ARG 13 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2qbf s LYS 14 N 0.00 0.17 -1.20 5.56 0.00 -1.26 -5.08 119.74 117.92 2qbf s LYS 14 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 55.97 56.02 2qbf s LYS 14 Cb 0.00 0.08 0.21 0.00 0.00 0.00 0.00 37.83 38.12 2qbf s LYS 14 CO 0.00 -0.03 1.55 1.33 0.00 0.00 0.00 175.35 178.20 2qbf n VAL 15 N 1.44 4.49 -1.63 1.79 0.24 -1.26 -5.01 118.33 118.39 2qbf n VAL 15 Ca -0.09 -4.88 -0.48 0.00 -2.04 0.00 0.00 64.34 56.85 2qbf n VAL 15 Cb 0.57 -2.39 -0.04 0.00 -1.47 0.00 0.00 33.84 30.51 2qbf n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbf n ALA 16 N 4.00 0.21 -2.84 2.33 0.00 -1.26 -4.97 120.51 117.98 2qbf n ALA 16 Ca 0.34 0.46 -0.28 0.00 0.00 0.00 0.00 53.44 53.97 2qbf n ALA 16 Cb 0.39 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 2qbf n ALA 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2qbf s LYS 17 N 0.18 3.07 0.23 0.00 0.00 -1.26 -5.10 119.74 116.86 2qbf s LYS 17 Ca 0.76 -0.71 -0.24 0.00 0.00 0.00 0.00 55.97 55.77 2qbf s LYS 17 Cb -0.78 -2.78 -0.09 0.00 0.00 0.00 0.00 37.83 34.18 2qbf s LYS 17 CO 0.46 0.53 0.82 0.45 0.00 0.00 0.00 175.35 177.62 2qbf s SER 18 N -2.86 7.31 0.00 0.03 0.15 -1.26 -4.95 113.70 112.13 2qbf s SER 18 Ca 0.32 1.67 0.29 0.00 0.70 0.00 0.00 55.95 58.92 2qbf s SER 18 Cb -0.11 -2.51 1.48 0.00 -1.71 0.00 0.00 66.02 63.16 2qbf s SER 18 CO 0.25 0.08 2.01 0.59 1.20 0.00 0.00 173.24 177.37 2qbf n ASN 19 N 1.07 0.00 -3.38 5.45 3.02 -1.26 -4.46 115.26 115.71 2qbf n ASN 19 Ca -0.02 -0.14 -0.18 0.00 -0.03 0.00 0.00 54.58 54.21 2qbf n ASN 19 Cb 0.49 -0.28 -0.09 0.00 -0.61 0.00 0.00 39.78 39.30 2qbf n ASN 19 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2qbf s VAL 20 N -2.56 -0.33 -0.91 2.41 -7.23 -1.26 -4.98 120.40 105.53 2qbf s VAL 20 Ca 0.28 -0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 59.52 2qbf s VAL 20 Cb 0.20 -0.83 -0.08 0.00 0.56 0.00 0.00 36.38 36.23 2qbf s VAL 20 CO 0.44 -0.56 2.09 -0.81 -0.31 0.00 0.00 175.10 175.95 2qbf n PRO 21 N 4.66 2.00 0.00 4.82 -0.04 -1.26 -4.57 135.00 140.62 2qbf n PRO 21 Ca 0.06 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 2qbf n PRO 21 Cb 0.45 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 2qbf n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qbf n ALA 22 N 5.03 2.27 -1.35 0.55 0.00 -1.26 -4.95 120.51 120.79 2qbf n ALA 22 Ca 0.47 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.95 2qbf n ALA 22 Cb 0.21 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 2qbf n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbf n LEU 23 N -0.10 -1.06 -0.09 0.00 7.94 -1.26 -4.21 117.00 118.21 2qbf n LEU 23 Ca 0.00 1.96 -0.00 0.00 -1.11 0.00 0.00 56.01 56.86 2qbf n LEU 23 Cb 0.14 -2.71 -0.00 0.00 0.53 0.00 0.00 43.42 41.38 2qbf n LEU 23 CO 0.00 -0.90 -0.00 -0.62 -1.11 0.00 0.00 177.39 174.75 2qbf n GLU 24 N -2.96 -1.93 -3.33 1.96 1.02 -1.26 -1.91 120.64 112.24 2qbf n GLU 24 Ca -0.02 0.16 -0.15 0.00 -0.02 0.00 0.00 57.16 57.13 2qbf n GLU 24 Cb 0.40 -3.31 0.04 0.00 -0.02 0.00 0.00 31.44 28.55 2qbf n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qbf n ALA 25 N 0.24 -2.53 -2.86 0.62 0.00 -1.26 -4.99 120.51 109.73 2qbf n ALA 25 Ca -0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 2qbf n ALA 25 Cb 0.15 -3.90 -0.06 0.00 0.00 0.00 0.00 19.45 15.64 2qbf n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbf h PRO 27 N 4.15 0.00 -2.33 0.00 0.13 -1.92 -3.46 132.00 128.56 2qbf h PRO 27 Ca -0.50 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.77 2qbf h PRO 27 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2qbf h PRO 27 CO 0.65 0.00 0.48 1.14 -0.23 0.00 0.00 178.00 180.04 2qbf s GLN 28 N -3.60 1.01 0.04 0.86 0.00 -1.26 -4.72 119.66 111.99 2qbf s GLN 28 Ca 0.02 -0.48 -0.04 0.00 -0.00 0.00 0.00 55.36 54.86 2qbf s GLN 28 Cb 0.09 0.40 -0.01 0.00 0.00 0.00 0.00 33.01 33.49 2qbf s GLN 28 CO 0.50 -0.46 0.07 0.15 0.00 0.00 0.00 175.29 175.55 2qbf s LYS 29 N -3.22 0.55 -0.14 9.60 -0.14 -1.05 -4.98 119.74 120.36 2qbf s LYS 29 Ca 0.08 -0.77 -0.16 0.00 -1.36 0.00 0.00 55.97 53.77 2qbf s LYS 29 Cb -0.01 0.21 -0.04 0.00 -1.68 0.00 0.00 37.83 36.30 2qbf s LYS 29 CO -0.04 -0.13 0.37 0.50 -0.76 0.00 0.00 175.35 175.30 2qbf s ARG 30 N -2.54 4.27 0.40 1.68 3.52 -1.26 -0.17 118.95 124.85 2qbf s ARG 30 Ca -0.06 0.26 0.07 0.00 -0.13 0.00 0.00 55.73 55.87 2qbf s ARG 30 Cb -0.02 -3.42 -0.06 0.00 -1.56 0.00 0.00 34.95 29.90 2qbf s ARG 30 CO -0.04 0.23 0.13 0.20 -0.81 0.00 0.00 175.30 175.01 2qbf s GLY 31 N 0.45 2.33 -0.10 8.12 0.00 0.43 -0.71 107.32 117.84 2qbf s GLY 31 Ca 0.21 -2.12 0.13 0.00 0.00 0.00 0.00 44.72 42.94 2qbf s GLY 31 CO 0.07 -1.94 0.14 -0.62 0.00 0.00 0.00 173.10 170.75 2qbf n VAL 32 N -1.16 0.65 -1.98 1.40 0.31 -1.18 -2.97 118.33 113.40 2qbf n VAL 32 Ca -0.02 -0.51 -0.01 0.00 -0.01 0.00 0.00 64.34 63.79 2qbf n VAL 32 Cb 0.65 -0.38 -0.01 0.00 -0.91 0.00 0.00 33.84 33.19 2qbf n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbf h THR 34 N 1.40 1.57 -2.66 0.00 2.02 0.22 -3.33 112.91 112.12 2qbf h THR 34 Ca -0.08 -3.07 0.04 0.00 0.77 0.00 0.00 66.41 64.06 2qbf h THR 34 Cb 0.19 2.79 -0.14 0.00 -1.74 0.00 0.00 68.15 69.25 2qbf h THR 34 CO 0.03 0.89 0.34 -0.60 0.37 0.00 0.00 175.52 176.54 2qbf s ARG 35 N -2.82 1.07 -0.28 6.66 6.06 -1.07 -4.90 118.95 123.68 2qbf s ARG 35 Ca -0.02 -0.38 0.02 0.00 -2.50 0.00 0.00 55.73 52.85 2qbf s ARG 35 Cb 0.09 0.49 0.08 0.00 0.06 0.00 0.00 34.95 35.67 2qbf s ARG 35 CO 0.85 -0.47 -0.02 0.14 -2.50 0.00 0.00 175.30 173.30 2qbf s VAL 36 N -3.42 1.83 0.00 7.11 -7.23 -1.26 0.09 120.40 117.52 2qbf s VAL 36 Ca 0.03 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2qbf s VAL 36 Cb -0.01 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.78 2qbf s VAL 36 CO -0.11 -0.28 0.00 -1.22 -0.31 0.00 0.00 175.10 173.18 2qbf n TYR 37 N 4.51 -0.98 -2.69 2.82 4.01 0.07 -4.95 117.16 119.95 2qbf n TYR 37 Ca -0.07 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.61 2qbf n TYR 37 Cb 0.43 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.54 2qbf n TYR 37 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qbf n THR 38 N -0.36 0.00 -0.47 -0.72 -2.24 -1.26 -3.12 114.28 106.11 2qbf n THR 38 Ca 0.00 -1.23 -0.29 0.00 -2.27 0.00 0.00 64.05 60.26 2qbf n THR 38 Cb 0.00 1.05 0.25 0.00 -2.10 0.00 0.00 70.33 69.53 2qbf n THR 38 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qbf n THR 39 N -0.22 0.00 -3.97 4.28 -2.24 -1.15 -4.55 114.28 106.43 2qbf n THR 39 Ca -0.06 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 61.02 2qbf n THR 39 Cb 0.76 -0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 2qbf n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qbf s THR 40 N -2.32 5.10 1.06 4.28 -4.23 -1.26 -2.76 115.64 115.51 2qbf s THR 40 Ca 0.66 -0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 60.43 2qbf s THR 40 Cb -0.21 -3.53 0.23 0.00 1.34 0.00 0.00 72.50 70.32 2qbf s THR 40 CO 0.64 0.05 1.06 -2.16 -0.54 0.00 0.00 174.62 173.68 2qbf s PRO 41 N -2.74 -0.10 0.00 3.99 0.04 -1.25 -4.86 135.00 130.07 2qbf s PRO 41 Ca 0.33 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2qbf s PRO 41 Cb -0.12 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2qbf s PRO 41 CO 0.26 -3.17 0.00 1.63 0.04 0.00 0.00 177.00 175.76 2qbf n LYS 42 N -4.53 0.00 0.00 4.56 4.76 -0.28 -4.91 118.16 117.77 2qbf n LYS 42 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2qbf n LYS 42 Cb 0.55 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 2qbf n LYS 42 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2qbf n LYS 43 N 0.00 0.00 0.20 1.97 5.02 -1.26 -4.83 118.16 119.26 2qbf n LYS 43 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 2qbf n LYS 43 Cb 0.00 -0.12 0.78 0.00 -0.02 0.00 0.00 35.03 35.67 2qbf n LYS 43 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2qbf h PRO 44 N 0.00 0.00 -6.22 1.97 0.13 -2.02 -3.43 132.00 122.43 2qbf h PRO 44 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2qbf h PRO 44 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2qbf h PRO 44 CO 0.00 0.00 -0.42 -0.80 -0.23 0.00 0.00 178.00 176.55 2qbf s ASN 45 N -6.17 6.10 -0.12 1.44 0.02 -1.26 -5.12 114.94 109.83 2qbf s ASN 45 Ca -0.05 -0.05 -0.05 0.00 -1.02 0.00 0.00 52.86 51.69 2qbf s ASN 45 Cb 0.16 -1.63 0.05 0.00 0.02 0.00 0.00 41.25 39.86 2qbf s ASN 45 CO 0.60 -0.16 0.27 -0.55 0.02 0.00 0.00 177.10 177.28 2qbf s SER 46 N -4.01 -0.08 0.00 -1.22 0.15 -1.26 -4.58 113.70 102.70 2qbf s SER 46 Ca 0.37 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2qbf s SER 46 Cb -0.09 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2qbf s SER 46 CO 0.29 -0.19 0.00 0.00 1.20 0.00 0.00 173.24 174.54 2qbf n ALA 47 N 4.62 0.00 -2.82 5.45 0.00 -1.26 -4.99 120.51 121.51 2qbf n ALA 47 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 2qbf n ALA 47 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 2qbf n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbf n LEU 48 N 0.00 5.83 -4.59 0.00 4.77 -1.26 -3.96 117.00 117.78 2qbf n LEU 48 Ca 0.00 -5.53 -0.53 0.00 -0.03 0.00 0.00 56.01 49.91 2qbf n LEU 48 Cb 0.00 -0.86 -0.06 0.00 -2.33 0.00 0.00 43.42 40.17 2qbf n LEU 48 CO 0.00 2.19 0.91 0.54 -1.33 0.00 0.00 177.39 179.70 2qbf n ARG 49 N -0.08 1.01 -2.95 3.23 3.00 -1.11 -4.79 116.66 114.97 2qbf n ARG 49 Ca 0.38 0.37 -0.42 0.00 -0.01 0.00 0.00 57.85 58.16 2qbf n ARG 49 Cb 0.33 -2.00 -0.05 0.00 0.00 0.00 0.00 32.46 30.74 2qbf n ARG 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2qbf s LYS 50 N 0.76 3.78 0.50 5.56 3.01 -1.26 -2.91 119.74 129.17 2qbf s LYS 50 Ca 0.87 0.35 0.02 0.00 -1.01 0.00 0.00 55.97 56.20 2qbf s LYS 50 Cb -1.01 -3.80 -0.02 0.00 -1.01 0.00 0.00 37.83 31.99 2qbf s LYS 50 CO 0.50 -0.84 0.01 0.08 0.51 0.00 0.00 175.35 175.62 2qbf s VAL 51 N 3.10 1.30 -0.28 3.17 1.01 -1.18 -1.69 120.40 125.82 2qbf s VAL 51 Ca 0.32 -1.99 -0.24 0.00 0.00 0.00 0.00 61.98 60.07 2qbf s VAL 51 Cb -0.13 -2.28 0.11 0.00 0.00 0.00 0.00 36.38 34.08 2qbf s VAL 51 CO 0.16 0.00 0.94 0.00 0.00 0.00 0.00 175.10 176.20 2qbf s ARG 53 N 0.43 4.29 0.22 0.00 3.52 0.11 -1.60 118.95 125.92 2qbf s ARG 53 Ca 0.01 0.78 0.07 0.00 -0.13 0.00 0.00 55.73 56.45 2qbf s ARG 53 Cb -0.05 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 2qbf s ARG 53 CO -0.06 0.51 -0.10 0.14 -0.81 0.00 0.00 175.30 174.98 2qbf s VAL 54 N -0.71 1.55 -0.62 7.11 -7.23 0.17 0.21 120.40 120.88 2qbf s VAL 54 Ca 0.31 -2.15 0.04 0.00 -1.81 0.00 0.00 61.98 58.37 2qbf s VAL 54 Cb -0.19 -2.14 0.15 0.00 0.56 0.00 0.00 36.38 34.76 2qbf s VAL 54 CO 0.19 -0.52 0.40 -0.60 -0.31 0.00 0.00 175.10 174.26 2qbf s ARG 55 N -3.70 2.20 0.70 4.82 3.52 -1.26 -2.70 118.95 122.53 2qbf s ARG 55 Ca 0.24 -3.00 -0.17 0.00 -0.13 0.00 0.00 55.73 52.67 2qbf s ARG 55 Cb 0.01 -3.28 -0.06 0.00 -1.56 0.00 0.00 34.95 30.07 2qbf s ARG 55 CO 0.07 -1.22 0.40 1.28 -0.81 0.00 0.00 175.30 175.02 2qbf n LEU 56 N 2.46 0.04 0.21 -0.88 4.77 -0.95 -3.11 117.00 119.54 2qbf n LEU 56 Ca 0.14 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.82 2qbf n LEU 56 Cb 0.34 -1.15 0.61 0.00 -2.33 0.00 0.00 43.42 40.89 2qbf n LEU 56 CO 0.29 -3.42 0.90 0.71 -1.33 0.00 0.00 177.39 174.54 2qbf h THR 57 N -0.32 0.00 -0.53 -5.08 1.35 -1.28 0.97 112.91 108.02 2qbf h THR 57 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2qbf h THR 57 Cb 1.36 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2qbf h THR 57 CO 0.42 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.23 2qbf n ASN 58 N -2.37 5.05 -2.66 5.36 6.94 -1.26 -4.96 115.26 121.36 2qbf n ASN 58 Ca -0.01 -2.79 -0.10 0.00 -0.02 0.00 0.00 54.58 51.65 2qbf n ASN 58 Cb 0.20 -0.62 0.05 0.00 -2.36 0.00 0.00 39.78 37.05 2qbf n ASN 58 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qbf n GLY 59 N 0.54 -0.45 2.83 4.83 0.00 0.34 -5.05 105.19 108.22 2qbf n GLY 59 Ca 0.26 0.27 -0.26 0.00 0.00 0.00 0.00 46.02 46.29 2qbf n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbf s PHE 60 N -3.26 1.18 -1.05 1.61 0.40 -1.24 -4.95 117.98 110.68 2qbf s PHE 60 Ca 0.29 -0.64 -0.19 0.00 -0.60 0.00 0.00 56.93 55.79 2qbf s PHE 60 Cb -0.04 -1.07 0.12 0.00 0.51 0.00 0.00 43.02 42.54 2qbf s PHE 60 CO 0.49 -0.49 1.33 -1.21 0.70 0.00 0.00 175.22 176.04 2qbf s GLU 61 N 1.81 3.74 0.32 0.44 0.41 -1.26 -2.25 118.70 121.91 2qbf s GLU 61 Ca 0.03 -1.82 0.09 0.00 -0.41 0.00 0.00 54.97 52.86 2qbf s GLU 61 Cb -0.14 -5.11 -0.05 0.00 -1.78 0.00 0.00 34.13 27.05 2qbf s GLU 61 CO -0.07 -1.92 0.04 0.14 -0.49 0.00 0.00 175.26 172.96 2qbf s VAL 62 N 3.11 2.95 -0.17 2.63 -7.23 -1.10 -4.93 120.40 115.68 2qbf s VAL 62 Ca 0.40 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2qbf s VAL 62 Cb -0.02 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 34.08 2qbf s VAL 62 CO -0.06 -0.25 -0.16 0.42 -0.31 0.00 0.00 175.10 174.75 2qbf s THR 63 N -2.44 2.55 0.05 5.32 -4.23 -1.26 -0.66 115.64 114.98 2qbf s THR 63 Ca 0.34 -0.80 0.09 0.00 -1.18 0.00 0.00 61.69 60.14 2qbf s THR 63 Cb -0.03 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 2qbf s THR 63 CO 0.20 0.51 -0.23 -0.94 -0.54 0.00 0.00 174.62 173.63 2qbf s SER 64 N 1.01 3.45 0.74 3.99 1.04 -0.63 -3.55 113.70 119.74 2qbf s SER 64 Ca -0.02 -0.54 -0.11 0.00 0.48 0.00 0.00 55.95 55.76 2qbf s SER 64 Cb -0.15 -0.42 0.03 0.00 0.10 0.00 0.00 66.02 65.59 2qbf s SER 64 CO -0.04 0.25 1.08 -0.47 0.98 0.00 0.00 173.24 175.04 2qbf s TYR 65 N -0.88 3.01 -0.54 5.02 5.04 -0.22 -2.27 117.35 126.51 2qbf s TYR 65 Ca 0.13 1.29 0.04 0.00 -2.44 0.00 0.00 57.07 56.09 2qbf s TYR 65 Cb -0.10 -2.99 0.14 0.00 0.35 0.00 0.00 41.96 39.36 2qbf s TYR 65 CO 0.04 -1.45 0.30 0.42 -1.34 0.00 0.00 175.55 173.52 2qbf s ILE 66 N -3.11 2.51 1.12 3.14 1.09 -0.68 -1.44 121.20 123.84 2qbf s ILE 66 Ca 0.59 -3.41 -0.15 0.00 -1.10 0.00 0.00 60.65 56.59 2qbf s ILE 66 Cb -0.14 -2.73 0.20 0.00 -1.06 0.00 0.00 42.46 38.73 2qbf s ILE 66 CO 0.55 -0.85 0.62 0.61 -0.10 0.00 0.00 174.94 175.77 2qbf n GLY 67 N 2.96 -2.07 0.20 6.18 0.00 -1.26 -4.81 105.19 106.39 2qbf n GLY 67 Ca 0.08 -0.97 0.01 0.00 0.00 0.00 0.00 46.02 45.13 2qbf n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbf n GLY 68 N 1.36 -2.89 3.64 -0.02 0.00 -1.26 -4.85 105.19 101.17 2qbf n GLY 68 Ca 0.03 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 2qbf n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qbf s GLU 69 N -3.88 4.08 0.11 1.61 2.02 -1.26 -4.70 118.70 116.69 2qbf s GLU 69 Ca 0.00 1.22 0.00 0.00 0.02 0.00 0.00 54.97 56.21 2qbf s GLU 69 Cb 0.00 -3.76 0.00 0.00 0.10 0.00 0.00 34.13 30.47 2qbf s GLU 69 CO 0.00 -0.88 0.00 0.41 0.02 0.00 0.00 175.26 174.81 2qbf n GLY 70 N 3.85 -4.78 0.00 -1.39 0.00 -1.26 -4.73 105.19 96.88 2qbf n GLY 70 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2qbf n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qbf n HIS 71 N 1.22 0.00 -2.33 1.61 1.44 -1.26 -4.73 115.22 111.17 2qbf n HIS 71 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 2qbf n HIS 71 Cb 0.00 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.15 2qbf n HIS 71 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2qbf n ASN 72 N 0.00 -0.80 -4.85 4.39 6.94 -1.26 -5.08 115.26 114.60 2qbf n ASN 72 Ca 0.00 -1.56 -0.33 0.00 -0.02 0.00 0.00 54.58 52.67 2qbf n ASN 72 Cb 0.00 0.34 -0.06 0.00 -2.36 0.00 0.00 39.78 37.70 2qbf n ASN 72 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qbf s LEU 73 N -1.66 4.13 0.00 -4.53 1.43 -1.26 -4.88 118.68 111.91 2qbf s LEU 73 Ca 0.04 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2qbf s LEU 73 Cb 0.18 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2qbf s LEU 73 CO -0.05 -0.13 0.00 0.00 0.23 0.00 0.00 176.35 176.40 2qbf n GLN 74 N -0.15 3.01 -0.00 1.70 6.02 -1.26 -4.98 117.38 121.72 2qbf n GLN 74 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.09 2qbf n GLN 74 Cb 0.53 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.67 2qbf n GLN 74 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2qbf n GLU 75 N 0.00 0.96 -0.28 -1.09 2.13 -1.26 -4.40 120.64 116.70 2qbf n GLU 75 Ca 0.00 -0.06 0.03 0.00 0.66 0.00 0.00 57.16 57.80 2qbf n GLU 75 Cb 0.00 -1.37 0.05 0.00 0.27 0.00 0.00 31.44 30.39 2qbf n GLU 75 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2qbf n HIS 76 N -1.66 0.00 -2.34 4.31 8.25 -1.25 -4.36 115.22 118.16 2qbf n HIS 76 Ca 0.01 -0.36 -0.43 0.00 -0.26 0.00 0.00 57.72 56.69 2qbf n HIS 76 Cb 0.34 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 2qbf n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2qbf s SER 77 N -1.51 6.58 -0.35 0.41 0.15 -1.23 -4.92 113.70 112.82 2qbf s SER 77 Ca 0.10 1.28 -0.29 0.00 0.70 0.00 0.00 55.95 57.74 2qbf s SER 77 Cb 0.09 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.87 2qbf s SER 77 CO 0.01 -1.15 1.31 -0.69 1.20 0.00 0.00 173.24 173.93 2qbf s VAL 78 N 4.65 4.08 0.50 4.45 1.01 -1.26 -4.02 120.40 129.81 2qbf s VAL 78 Ca 0.60 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.78 2qbf s VAL 78 Cb -0.18 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 2qbf s VAL 78 CO 0.25 -0.62 0.05 0.27 0.00 0.00 0.00 175.10 175.05 2qbf s ILE 79 N 4.70 1.34 -0.17 2.22 -4.36 -1.16 0.22 121.20 124.00 2qbf s ILE 79 Ca 0.57 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 2qbf s ILE 79 Cb -0.15 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.30 2qbf s ILE 79 CO 0.27 0.00 -0.18 -0.22 0.24 0.00 0.00 174.94 175.05 2qbf s LEU 80 N -3.90 1.97 0.35 0.37 2.96 -1.26 -0.43 118.68 118.75 2qbf s LEU 80 Ca 0.13 -0.59 -0.26 0.00 -0.22 0.00 0.00 54.13 53.19 2qbf s LEU 80 Cb 0.02 -1.37 -0.09 0.00 0.50 0.00 0.00 46.19 45.25 2qbf s LEU 80 CO 0.07 -0.02 1.03 -0.63 -1.32 0.00 0.00 176.35 175.48 2qbf s ILE 81 N 1.34 3.81 -0.11 6.68 -1.09 0.75 -0.43 121.20 132.15 2qbf s ILE 81 Ca 0.05 1.51 -0.11 0.00 -2.23 0.00 0.00 60.65 59.87 2qbf s ILE 81 Cb -0.13 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 2qbf s ILE 81 CO -0.12 0.12 -0.22 -1.14 -1.23 0.00 0.00 174.94 172.35 2qbf n ARG 82 N 0.37 0.35 0.00 2.79 0.63 0.37 -2.53 116.66 118.63 2qbf n ARG 82 Ca 0.03 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 2qbf n ARG 82 Cb 0.49 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 32.29 2qbf n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbf n GLY 83 N 2.09 0.94 3.15 5.14 0.00 -1.25 -4.55 105.19 110.72 2qbf n GLY 83 Ca -0.18 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.25 2qbf n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbf s GLY 84 N 0.00 -0.90 1.15 -0.02 0.00 -1.03 -4.76 107.32 101.75 2qbf s GLY 84 Ca 0.00 1.90 -0.13 0.00 0.00 0.00 0.00 44.72 46.49 2qbf s GLY 84 CO 0.00 3.66 0.96 -0.96 0.00 0.00 0.00 173.10 176.76 2qbf n ARG 85 N 5.39 -2.24 -3.82 2.90 1.85 -1.15 -3.51 116.66 116.09 2qbf n ARG 85 Ca 0.01 -0.62 -0.28 0.00 -1.00 0.00 0.00 57.85 55.95 2qbf n ARG 85 Cb 0.53 -2.16 -0.16 0.00 -1.05 0.00 0.00 32.46 29.63 2qbf n ARG 85 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qbf s VAL 86 N -2.41 0.90 0.29 8.89 1.01 -0.78 -4.89 120.40 123.41 2qbf s VAL 86 Ca 0.68 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2qbf s VAL 86 Cb -0.24 -1.29 0.28 0.00 0.00 0.00 0.00 36.38 35.13 2qbf s VAL 86 CO 0.65 -0.12 1.71 0.50 0.00 0.00 0.00 175.10 177.83 2qbf h LYS 87 N 8.14 0.44 -0.06 2.72 3.64 -1.96 0.31 116.57 129.79 2qbf h LYS 87 Ca -0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2qbf h LYS 87 Cb 1.10 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2qbf h LYS 87 CO 0.37 0.29 0.00 -0.25 -2.27 0.00 0.00 179.45 177.58 2qbf n ASP 88 N -5.00 0.83 -3.82 4.20 10.43 -1.26 -4.61 116.55 117.31 2qbf n ASP 88 Ca 0.22 -1.48 -0.30 0.00 2.57 0.00 0.00 54.79 55.80 2qbf n ASP 88 Cb 0.63 -0.04 -0.15 0.00 1.84 0.00 0.00 41.12 43.41 2qbf n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2qbf s LEU 89 N -1.70 3.05 0.38 0.64 2.01 0.11 -1.13 118.68 122.04 2qbf s LEU 89 Ca 0.34 -1.90 -0.26 0.00 0.01 0.00 0.00 54.13 52.31 2qbf s LEU 89 Cb 0.17 -1.11 -0.09 0.00 0.01 0.00 0.00 46.19 45.17 2qbf s LEU 89 CO 0.27 -0.39 1.23 -2.16 1.01 0.00 0.00 176.35 176.32 2qbf s PRO 90 N 1.27 4.10 0.00 1.29 0.04 -1.26 -2.92 135.00 137.51 2qbf s PRO 90 Ca 0.11 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2qbf s PRO 90 Cb -0.19 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2qbf s PRO 90 CO -0.18 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 176.94 2qbf n GLY 91 N 0.71 1.74 3.56 0.56 0.00 -1.26 -4.91 105.19 105.59 2qbf n GLY 91 Ca 0.03 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2qbf n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbf s VAL 92 N -0.22 3.44 -0.23 1.61 1.01 -1.15 -4.60 120.40 120.25 2qbf s VAL 92 Ca 0.00 -0.14 0.15 0.00 0.00 0.00 0.00 61.98 61.99 2qbf s VAL 92 Cb 0.00 -4.05 0.35 0.00 0.00 0.00 0.00 36.38 32.68 2qbf s VAL 92 CO 0.00 -1.00 1.25 0.54 0.00 0.00 0.00 175.10 175.89 2qbf n ARG 93 N 9.00 2.34 -4.08 2.72 1.74 -1.23 -1.86 116.66 125.28 2qbf n ARG 93 Ca 0.31 -2.50 -0.08 0.00 -0.77 0.00 0.00 57.85 54.82 2qbf n ARG 93 Cb 0.49 -1.55 -0.10 0.00 -1.02 0.00 0.00 32.46 30.28 2qbf n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2qbf s TYR 94 N -2.41 0.55 0.13 -1.55 2.02 -1.23 -2.48 117.35 112.38 2qbf s TYR 94 Ca 0.31 -1.06 0.09 0.00 -0.37 0.00 0.00 57.07 56.04 2qbf s TYR 94 Cb 0.25 -0.38 -0.04 0.00 -0.40 0.00 0.00 41.96 41.40 2qbf s TYR 94 CO 0.07 -0.42 -0.21 -1.01 -1.57 0.00 0.00 175.55 172.41 2qbf s HIS 95 N -3.94 1.87 -0.33 2.71 3.76 -1.25 -1.06 115.29 117.05 2qbf s HIS 95 Ca 0.10 -0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 54.41 2qbf s HIS 95 Cb 0.08 -0.99 -0.01 0.00 1.11 0.00 0.00 32.58 32.77 2qbf s HIS 95 CO -0.08 0.28 0.47 0.95 -0.85 0.00 0.00 174.74 175.51 2qbf s THR 96 N -1.49 5.06 -0.51 1.30 -4.23 -0.52 0.14 115.64 115.39 2qbf s THR 96 Ca 0.11 0.36 -0.26 0.00 -1.18 0.00 0.00 61.69 60.72 2qbf s THR 96 Cb -0.08 -3.90 -0.06 0.00 1.34 0.00 0.00 72.50 69.79 2qbf s THR 96 CO 0.06 -0.13 2.31 -0.69 -0.54 0.00 0.00 174.62 175.62 2qbf s VAL 97 N 2.29 3.07 0.11 2.29 1.01 0.43 -4.67 120.40 124.93 2qbf s VAL 97 Ca 0.17 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 2qbf s VAL 97 Cb -0.16 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 2qbf s VAL 97 CO 0.12 -0.18 1.66 -0.13 0.00 0.00 0.00 175.10 176.58 2qbf s ARG 98 N 8.05 4.19 0.00 2.72 1.81 -1.26 -2.43 118.95 132.03 2qbf s ARG 98 Ca 0.92 2.40 0.00 0.00 -1.72 0.00 0.00 55.73 57.33 2qbf s ARG 98 Cb -0.16 -3.45 0.00 0.00 -0.45 0.00 0.00 34.95 30.89 2qbf s ARG 98 CO 0.25 -0.72 0.00 0.41 -0.68 0.00 0.00 175.30 174.56 2qbf n GLY 99 N 3.97 1.77 3.87 -3.53 0.00 0.27 -2.46 105.19 109.08 2qbf n GLY 99 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2qbf n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbf s ALA 100 N -2.37 3.79 0.00 4.61 0.00 -1.02 -4.84 121.76 121.94 2qbf s ALA 100 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2qbf s ALA 100 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.95 2qbf s ALA 100 CO 0.00 0.60 0.00 1.28 0.00 0.00 0.00 175.76 177.64 2qbf n LEU 101 N 1.06 0.00 0.00 0.00 4.77 -1.26 -1.44 117.00 120.13 2qbf n LEU 101 Ca -0.10 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.94 2qbf n LEU 101 Cb 0.53 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.94 2qbf n LEU 101 CO 0.41 0.00 0.54 0.47 -1.33 0.00 0.00 177.39 177.48 2qbf n ASP 102 N -1.70 0.00 -4.65 -1.43 10.43 0.13 -4.62 116.55 114.72 2qbf n ASP 102 Ca 0.00 -0.48 -0.38 0.00 2.57 0.00 0.00 54.79 56.50 2qbf n ASP 102 Cb 0.00 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 42.87 2qbf n ASP 102 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qbf n SER 104 N 4.70 -0.01 -4.18 0.00 3.41 -1.26 -2.45 113.62 113.83 2qbf n SER 104 Ca -0.10 -0.19 -0.11 0.00 -0.26 0.00 0.00 58.87 58.22 2qbf n SER 104 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 2qbf n SER 104 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2qbf s GLY 105 N -1.37 0.89 0.34 5.00 0.00 -1.26 0.95 107.32 111.87 2qbf s GLY 105 Ca 0.00 -1.42 -0.28 0.00 0.00 0.00 0.00 44.72 43.02 2qbf s GLY 105 CO 0.00 -1.45 1.31 -0.62 0.00 0.00 0.00 173.10 172.35 2qbf n VAL 106 N -0.09 1.98 -3.84 1.40 0.31 -0.93 -4.97 118.33 112.19 2qbf n VAL 106 Ca -0.10 -0.49 -0.31 0.00 -0.01 0.00 0.00 64.34 63.43 2qbf n VAL 106 Cb 0.62 -1.61 -0.04 0.00 -0.91 0.00 0.00 33.84 31.89 2qbf n VAL 106 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2qbf s LYS 107 N -1.87 3.50 0.00 5.55 0.00 -1.26 -4.21 119.74 121.45 2qbf s LYS 107 Ca 0.55 -0.34 0.00 0.00 0.00 0.00 0.00 55.97 56.18 2qbf s LYS 107 Cb -0.56 -2.97 0.00 0.00 0.00 0.00 0.00 37.83 34.30 2qbf s LYS 107 CO 0.62 0.55 0.00 -0.25 0.00 0.00 0.00 175.35 176.27 2qbf n ASP 108 N 0.11 0.00 -4.59 0.03 10.43 -1.26 -4.95 116.55 116.32 2qbf n ASP 108 Ca -0.04 0.00 -0.39 0.00 2.57 0.00 0.00 54.79 56.93 2qbf n ASP 108 Cb 0.52 -0.98 0.04 0.00 1.84 0.00 0.00 41.12 42.53 2qbf n ASP 108 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 2qbf n ARG 109 N -2.00 0.98 0.09 -1.24 3.00 -1.26 -4.90 116.66 111.33 2qbf n ARG 109 Ca 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 57.85 58.22 2qbf n ARG 109 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 32.46 30.42 2qbf n ARG 109 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2qbf n LYS 110 N -0.46 0.00 -2.87 -0.14 4.76 -1.26 -4.98 118.16 113.22 2qbf n LYS 110 Ca 0.12 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.17 2qbf n LYS 110 Cb 0.45 -0.01 -0.06 0.00 -1.84 0.00 0.00 35.03 33.57 2qbf n LYS 110 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2qbf s GLN 111 N -2.00 4.64 -1.34 1.97 -0.21 -1.26 -3.74 119.66 117.72 2qbf s GLN 111 Ca 0.00 1.29 -0.02 0.00 0.02 0.00 0.00 55.36 56.65 2qbf s GLN 111 Cb 0.00 -3.13 0.01 0.00 1.00 0.00 0.00 33.01 30.89 2qbf s GLN 111 CO 0.00 0.47 0.70 0.00 -2.12 0.00 0.00 175.29 174.34 2qbf n ALA 112 N 1.23 -1.93 -0.04 6.09 0.00 -1.26 -4.88 120.51 119.72 2qbf n ALA 112 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 2qbf n ALA 112 Cb 0.49 -2.18 0.24 0.00 0.00 0.00 0.00 19.45 18.01 2qbf n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbf h ARG 113 N -1.89 0.61 -0.43 0.00 3.08 -1.88 -3.12 114.38 110.75 2qbf h ARG 113 Ca -0.61 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 59.35 2qbf h ARG 113 Cb 1.36 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 31.25 2qbf h ARG 113 CO 0.58 0.64 -0.53 0.77 -1.07 0.00 0.00 179.97 180.36 2qbf h SER 114 N 0.58 -1.78 -4.15 7.04 0.02 -1.90 -2.33 113.55 111.03 2qbf h SER 114 Ca 0.12 0.24 -0.52 0.00 -0.84 0.00 0.00 61.79 60.79 2qbf h SER 114 Cb 0.39 0.74 0.11 0.00 0.14 0.00 0.00 62.40 63.78 2qbf h SER 114 CO 0.01 -0.39 0.42 -0.54 -1.14 0.00 0.00 176.83 175.19 2qbf s LYS 115 N -5.69 2.77 0.00 3.45 1.02 -1.18 -2.05 119.74 118.06 2qbf s LYS 115 Ca -0.14 1.65 0.00 0.00 0.02 0.00 0.00 55.97 57.50 2qbf s LYS 115 Cb 0.09 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 2qbf s LYS 115 CO 0.62 -1.32 0.00 0.66 -0.92 0.00 0.00 175.35 174.39 2qbf n TYR 116 N -2.07 0.00 -3.09 3.18 0.53 -1.26 -4.43 117.16 110.02 2qbf n TYR 116 Ca 0.12 0.00 -0.00 0.00 -1.02 0.00 0.00 57.90 57.00 2qbf n TYR 116 Cb 0.51 -1.00 -0.00 0.00 -1.03 0.00 0.00 39.34 37.82 2qbf n TYR 116 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qbf n GLY 117 N -1.02 -0.23 2.91 2.72 0.00 -0.87 -2.19 105.19 106.50 2qbf n GLY 117 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2qbf n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbf s VAL 118 N -0.29 -0.56 0.58 1.61 1.01 -0.88 -4.25 120.40 117.62 2qbf s VAL 118 Ca -0.01 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 2qbf s VAL 118 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2qbf s VAL 118 CO 0.04 -0.12 1.18 -1.59 0.00 0.00 0.00 175.10 174.60 2qbf s LYS 119 N 2.52 3.10 0.28 2.72 0.00 -1.26 -4.55 119.74 122.54 2qbf s LYS 119 Ca 0.11 1.74 -0.30 0.00 0.00 0.00 0.00 55.97 57.53 2qbf s LYS 119 Cb -0.15 -1.96 -0.11 0.00 0.00 0.00 0.00 37.83 35.61 2qbf s LYS 119 CO -0.15 -1.08 1.52 -0.98 0.00 0.00 0.00 175.35 174.65 2qbf s ARG 120 N -3.33 4.19 0.00 1.78 1.70 -1.26 -4.99 118.95 117.04 2qbf s ARG 120 Ca 0.76 2.45 0.00 0.00 -0.47 0.00 0.00 55.73 58.46 2qbf s ARG 120 Cb -0.28 -3.06 0.00 0.00 -0.57 0.00 0.00 34.95 31.04 2qbf s ARG 120 CO 0.31 -0.53 0.00 -0.35 -1.08 0.00 0.00 175.30 173.65 2qbf n PRO 121 N 2.17 0.00 -0.17 3.89 -0.04 -1.26 -4.91 135.00 134.69 2qbf n PRO 121 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2qbf n PRO 121 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 2qbf n PRO 121 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2qbf n LYS 122 N 0.00 0.00 0.00 0.54 4.01 -1.26 -5.31 118.16 116.14 2qbf n LYS 122 Ca 0.00 -0.55 0.09 0.00 -0.51 0.00 0.00 58.31 57.34 2qbf n LYS 122 Cb 0.00 -0.41 0.52 0.00 -0.51 0.00 0.00 35.03 34.63 2qbf n LYS 122 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29