#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qzq n SER 20 N 0.00 1.43 -4.73 1.61 3.41 0.20 -4.92 113.62 110.63 2qzq n SER 20 Ca 0.00 -2.05 -0.41 0.00 -0.26 0.00 0.00 58.87 56.15 2qzq n SER 20 Cb 0.00 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 2qzq n SER 20 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qzq s LEU 21 N -3.81 4.45 0.16 1.04 1.43 -1.22 -4.12 118.68 116.61 2qzq s LEU 21 Ca 0.26 1.93 0.03 0.00 -1.03 0.00 0.00 54.13 55.33 2qzq s LEU 21 Cb 0.33 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 2qzq s LEU 21 CO -0.04 -0.24 0.24 -0.76 0.23 0.00 0.00 176.35 175.78 2qzq s LEU 22 N 0.24 4.18 0.70 1.79 1.43 -1.26 -5.07 118.68 120.68 2qzq s LEU 22 Ca 0.51 0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.54 2qzq s LEU 22 Cb -0.27 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.22 2qzq s LEU 22 CO 0.31 0.05 1.13 -2.84 0.23 0.00 0.00 176.35 175.24 2qzq s PRO 23 N -3.21 2.51 0.17 1.29 0.02 -1.26 -4.45 135.00 130.07 2qzq s PRO 23 Ca 0.33 1.45 -0.33 0.00 0.02 0.00 0.00 61.00 62.48 2qzq s PRO 23 Cb -0.11 -1.91 -0.15 0.00 0.02 0.00 0.00 34.50 32.35 2qzq s PRO 23 CO 0.27 -1.49 1.27 -2.13 -0.33 0.00 0.00 177.00 174.60 2qzq n ARG 24 N -2.69 1.43 -1.37 5.54 0.63 -1.26 -4.94 116.66 114.00 2qzq n ARG 24 Ca 0.11 0.51 -0.35 0.00 -0.92 0.00 0.00 57.85 57.20 2qzq n ARG 24 Cb 0.52 -2.09 0.10 0.00 0.45 0.00 0.00 32.46 31.44 2qzq n ARG 24 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2qzq s LEU 25 N 0.52 3.30 0.45 6.15 1.43 -1.26 -4.95 118.68 124.31 2qzq s LEU 25 Ca 0.74 2.43 -0.25 0.00 -1.03 0.00 0.00 54.13 56.02 2qzq s LEU 25 Cb -0.81 -4.60 -0.08 0.00 0.03 0.00 0.00 46.19 40.73 2qzq s LEU 25 CO 0.50 -2.38 1.38 -2.16 0.23 0.00 0.00 176.35 173.92 2qzq s PRO 26 N -3.88 3.72 0.45 1.29 0.04 -1.26 -4.95 135.00 130.41 2qzq s PRO 26 Ca 0.76 2.32 -0.24 0.00 0.04 0.00 0.00 61.00 63.88 2qzq s PRO 26 Cb -0.31 -2.64 -0.07 0.00 0.04 0.00 0.00 34.50 31.51 2qzq s PRO 26 CO 0.46 -0.76 1.21 -1.54 0.04 0.00 0.00 177.00 176.42 2qzq s SER 27 N -0.62 6.14 -0.07 6.66 1.04 -1.26 -5.05 113.70 120.54 2qzq s SER 27 Ca 0.61 2.43 0.05 0.00 0.48 0.00 0.00 55.95 59.52 2qzq s SER 27 Cb -0.42 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.09 2qzq s SER 27 CO 0.53 -0.95 -0.22 -1.61 0.98 0.00 0.00 173.24 171.97 2qzq s GLU 28 N -2.57 2.57 0.22 4.02 2.02 -1.26 -5.10 118.70 118.59 2qzq s GLU 28 Ca 0.62 -0.81 -0.32 0.00 0.02 0.00 0.00 54.97 54.48 2qzq s GLU 28 Cb -0.32 -2.07 -0.14 0.00 0.10 0.00 0.00 34.13 31.70 2qzq s GLU 28 CO 0.39 0.25 1.34 -2.30 0.02 0.00 0.00 175.26 174.97 2qzq n PRO 29 N 3.27 1.80 -2.68 0.39 -0.02 -1.26 -4.70 135.00 131.80 2qzq n PRO 29 Ca -0.19 0.64 -0.05 0.00 -2.02 0.00 0.00 63.50 61.89 2qzq n PRO 29 Cb 0.52 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 2qzq n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qzq n GLY 30 N 2.13 0.63 3.63 -1.23 0.00 -1.26 -5.25 105.19 103.85 2qzq n GLY 30 Ca 0.13 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 2qzq n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qzq s THR 32 N -3.06 0.00 -0.02 2.61 2.01 -1.26 -5.05 115.64 110.86 2qzq s THR 32 Ca 0.11 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.16 2qzq s THR 32 Cb -0.05 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 2qzq s THR 32 CO 0.15 0.00 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.14 2qzq s LEU 33 N 0.77 2.58 -0.14 4.42 1.43 -0.91 -0.41 118.68 126.41 2qzq s LEU 33 Ca -0.03 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2qzq s LEU 33 Cb -0.05 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 2qzq s LEU 33 CO -0.06 0.32 -0.08 -0.22 0.23 0.00 0.00 176.35 176.54 2qzq s LEU 34 N -0.90 3.03 -0.18 1.79 2.96 -1.26 -0.32 118.68 123.80 2qzq s LEU 34 Ca 0.12 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.77 2qzq s LEU 34 Cb -0.10 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 2qzq s LEU 34 CO 0.02 0.17 0.01 -0.89 -1.32 0.00 0.00 176.35 174.34 2qzq s THR 35 N 0.33 4.24 -0.26 3.68 2.01 -0.43 -1.68 115.64 123.53 2qzq s THR 35 Ca -0.07 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.66 2qzq s THR 35 Cb -0.15 -2.90 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2qzq s THR 35 CO 0.04 0.45 0.03 -0.76 -0.69 0.00 0.00 174.62 173.69 2qzq s LEU 36 N 0.64 3.47 -0.23 4.42 1.43 -0.12 -1.43 118.68 126.85 2qzq s LEU 36 Ca 0.00 -0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 52.27 2qzq s LEU 36 Cb -0.14 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2qzq s LEU 36 CO 0.02 -0.12 0.78 -0.89 0.23 0.00 0.00 176.35 176.37 2qzq s THR 37 N 1.48 4.88 -0.45 5.49 2.01 0.43 0.03 115.64 129.52 2qzq s THR 37 Ca 0.03 1.47 -0.21 0.00 0.31 0.00 0.00 61.69 63.29 2qzq s THR 37 Cb -0.16 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.30 2qzq s THR 37 CO 0.00 -0.03 0.69 -0.63 -0.69 0.00 0.00 174.62 173.96 2qzq s ILE 38 N 2.61 4.77 -0.10 1.82 1.01 0.78 -1.37 121.20 130.72 2qzq s ILE 38 Ca 0.33 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 61.14 2qzq s ILE 38 Cb -0.16 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 2qzq s ILE 38 CO 0.08 -0.65 -0.03 -0.33 0.00 0.00 0.00 174.94 174.01 2qzq h GLU 39 N 8.92 0.00 -2.91 2.79 5.08 -1.47 0.75 114.58 127.74 2qzq h GLU 39 Ca -0.25 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 2qzq h GLU 39 Cb 1.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.25 2qzq h GLU 39 CO 0.92 0.00 0.25 -1.59 -1.00 0.00 0.00 179.01 177.59 2qzq s LYS 40 N -1.62 1.42 -0.07 2.33 -2.85 -1.17 -1.05 119.74 116.73 2qzq s LYS 40 Ca -0.03 -0.65 0.02 0.00 -1.00 0.00 0.00 55.97 54.31 2qzq s LYS 40 Cb 0.00 0.57 0.01 0.00 -2.06 0.00 0.00 37.83 36.36 2qzq s LYS 40 CO 0.04 -0.64 -0.12 -1.50 0.10 0.00 0.00 175.35 173.23 2qzq s ILE 41 N -3.74 1.14 -0.06 3.79 2.07 -0.32 -0.95 121.20 123.12 2qzq s ILE 41 Ca 0.05 -0.48 -0.23 0.00 -1.41 0.00 0.00 60.65 58.58 2qzq s ILE 41 Cb -0.03 -1.05 -0.04 0.00 0.13 0.00 0.00 42.46 41.48 2qzq s ILE 41 CO -0.05 0.36 0.70 -0.83 -1.91 0.00 0.00 174.94 173.21 2qzq s GLY 42 N 0.71 2.63 -0.09 1.50 0.00 0.59 -1.47 107.32 111.19 2qzq s GLY 42 Ca -0.14 0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.64 2qzq s GLY 42 CO 0.03 1.18 0.24 1.08 0.00 0.00 0.00 173.10 175.63 2qzq s LEU 43 N 0.78 1.06 0.48 0.66 1.43 0.01 -4.01 118.68 119.08 2qzq s LEU 43 Ca 0.38 0.48 0.16 0.00 -1.03 0.00 0.00 54.13 54.12 2qzq s LEU 43 Cb -0.18 0.82 1.16 0.00 0.03 0.00 0.00 46.19 48.02 2qzq s LEU 43 CO 0.18 -0.09 2.05 0.11 0.23 0.00 0.00 176.35 178.84 2qzq h LYS 44 N 5.83 0.21 -0.16 1.70 1.57 -1.89 -2.04 116.57 121.78 2qzq h LYS 44 Ca -0.26 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 2qzq h LYS 44 Cb 1.19 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.39 2qzq h LYS 44 CO 0.36 0.14 -0.41 -0.40 -0.57 0.00 0.00 179.45 178.57 2qzq n ASP 45 N -4.47 2.23 -0.12 0.86 5.75 -1.26 -4.72 116.55 114.81 2qzq n ASP 45 Ca 0.04 -3.87 -0.06 0.00 -0.01 0.00 0.00 54.79 50.90 2qzq n ASP 45 Cb 0.28 -0.55 0.01 0.00 -1.03 0.00 0.00 41.12 39.83 2qzq n ASP 45 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qzq h ALA 46 N 1.11 0.04 0.00 2.12 0.00 -1.14 -1.82 119.26 119.58 2qzq h ALA 46 Ca 0.10 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qzq h ALA 46 Cb 1.21 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2qzq h ALA 46 CO 0.18 -0.59 0.00 0.78 0.00 0.00 0.00 179.25 179.62 2qzq h GLY 47 N -0.15 0.00 1.96 0.00 0.00 -0.68 -1.74 103.07 102.46 2qzq h GLY 47 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 2qzq h GLY 47 CO -0.50 0.00 -0.04 1.46 0.00 0.00 0.00 176.54 177.46 2qzq h GLN 48 N 0.00 0.00 -6.28 4.80 4.20 -1.61 -3.46 115.11 112.75 2qzq h GLN 48 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 2qzq h GLN 48 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2qzq h GLN 48 CO 0.00 0.01 0.74 0.00 -0.67 0.00 0.00 178.83 178.90 2qzq s ILE 50 N 2.45 5.23 -1.23 0.00 -1.09 -1.26 -4.42 121.20 120.87 2qzq s ILE 50 Ca 0.55 0.78 -0.08 0.00 -2.23 0.00 0.00 60.65 59.67 2qzq s ILE 50 Cb -0.24 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 36.89 2qzq s ILE 50 CO 0.20 0.33 0.71 0.47 -1.23 0.00 0.00 174.94 175.43 2qzq n ASP 51 N 3.78 -3.12 -4.77 3.58 8.00 -1.26 -0.50 116.55 122.26 2qzq n ASP 51 Ca -0.09 -0.91 -0.38 0.00 0.71 0.00 0.00 54.79 54.12 2qzq n ASP 51 Cb 0.52 -3.79 -0.03 0.00 -0.02 0.00 0.00 41.12 37.79 2qzq n ASP 51 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2qzq s PRO 52 N -5.89 4.27 0.30 -0.24 0.04 -1.26 -4.32 135.00 127.90 2qzq s PRO 52 Ca 0.22 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 2qzq s PRO 52 Cb -0.07 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.69 2qzq s PRO 52 CO 0.83 -0.10 0.55 1.52 0.04 0.00 0.00 177.00 179.85 2qzq s TYR 53 N -1.41 0.47 -0.03 0.56 1.13 0.15 -0.92 117.35 117.30 2qzq s TYR 53 Ca 0.53 -0.86 0.04 0.00 -1.41 0.00 0.00 57.07 55.37 2qzq s TYR 53 Cb -0.28 0.27 -0.01 0.00 -1.10 0.00 0.00 41.96 40.84 2qzq s TYR 53 CO 0.36 -1.16 -0.16 0.42 -2.51 0.00 0.00 175.55 172.51 2qzq s ILE 54 N -3.44 1.29 -0.23 -3.49 1.01 -1.26 -0.31 121.20 114.77 2qzq s ILE 54 Ca 0.23 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 2qzq s ILE 54 Cb -0.02 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 2qzq s ILE 54 CO 0.12 0.37 0.10 -0.89 0.00 0.00 0.00 174.94 174.65 2qzq s THR 55 N -0.07 4.80 -0.21 2.92 2.01 -0.17 -0.26 115.64 124.66 2qzq s THR 55 Ca -0.00 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 2qzq s THR 55 Cb -0.09 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 2qzq s THR 55 CO 0.01 0.37 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.60 2qzq s VAL 56 N 1.09 3.62 0.14 3.82 1.01 0.52 -0.63 120.40 129.98 2qzq s VAL 56 Ca 0.05 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.66 2qzq s VAL 56 Cb -0.14 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2qzq s VAL 56 CO 0.04 0.42 -0.10 -0.94 0.00 0.00 0.00 175.10 174.52 2qzq s SER 57 N 1.25 1.80 -0.19 3.32 1.04 -0.87 -1.29 113.70 118.76 2qzq s SER 57 Ca 0.03 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.49 2qzq s SER 57 Cb -0.14 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 65.99 2qzq s SER 57 CO -0.00 -0.31 -0.18 -0.69 0.98 0.00 0.00 173.24 173.04 2qzq s VAL 58 N -3.19 2.03 0.02 5.02 1.01 -1.26 -0.32 120.40 123.72 2qzq s VAL 58 Ca 0.16 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.16 2qzq s VAL 58 Cb 0.02 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2qzq s VAL 58 CO 0.01 0.42 -0.17 -0.54 0.00 0.00 0.00 175.10 174.82 2qzq s LYS 59 N 1.27 2.17 1.08 2.72 -0.14 0.07 -0.57 119.74 126.35 2qzq s LYS 59 Ca 0.02 -0.92 -0.18 0.00 -1.36 0.00 0.00 55.97 53.53 2qzq s LYS 59 Cb -0.14 -2.24 0.26 0.00 -1.68 0.00 0.00 37.83 34.03 2qzq s LYS 59 CO -0.11 0.56 1.20 -0.40 -0.76 0.00 0.00 175.35 175.83 2qzq n ASP 60 N 1.67 -0.97 -0.31 2.83 5.68 0.92 -1.10 116.55 125.27 2qzq n ASP 60 Ca -0.16 -1.32 0.26 0.00 -0.50 0.00 0.00 54.79 53.07 2qzq n ASP 60 Cb 0.52 -1.00 0.59 0.00 -1.14 0.00 0.00 41.12 40.10 2qzq n ASP 60 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2qzq h LEU 61 N 0.00 0.29 -1.95 -2.12 3.38 -1.88 -0.74 115.31 112.29 2qzq h LEU 61 Ca -0.41 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2qzq h LEU 61 Cb 1.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2qzq h LEU 61 CO 0.28 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.46 2qzq n ASN 62 N -4.48 2.83 0.00 -0.43 5.03 -1.26 -4.74 115.26 112.21 2qzq n ASN 62 Ca 0.25 -2.00 0.00 0.00 0.87 0.00 0.00 54.58 53.70 2qzq n ASN 62 Cb 0.98 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 39.39 2qzq n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qzq n GLY 63 N 1.34 0.41 3.77 7.41 0.00 -0.28 -4.79 105.19 113.04 2qzq n GLY 63 Ca 0.18 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 2qzq n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qzq s ILE 64 N -2.00 5.37 -0.01 -0.61 -1.09 -1.26 -4.79 121.20 116.81 2qzq s ILE 64 Ca 0.00 0.36 -0.34 0.00 -2.23 0.00 0.00 60.65 58.44 2qzq s ILE 64 Cb 0.00 -3.53 -0.13 0.00 -1.58 0.00 0.00 42.46 37.23 2qzq s ILE 64 CO 0.00 0.47 1.77 0.47 -1.23 0.00 0.00 174.94 176.42 2qzq n ASP 65 N 3.10 3.30 0.02 3.58 8.00 -1.26 -0.06 116.55 133.23 2qzq n ASP 65 Ca -0.15 1.01 0.11 0.00 0.71 0.00 0.00 54.79 56.47 2qzq n ASP 65 Cb 0.53 -1.38 -0.08 0.00 -0.02 0.00 0.00 41.12 40.16 2qzq n ASP 65 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qzq n LEU 66 N 5.51 0.42 -4.16 0.64 4.77 0.26 -4.88 117.00 119.57 2qzq n LEU 66 Ca 0.21 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 2qzq n LEU 66 Cb 0.29 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 2qzq n LEU 66 CO 0.70 -0.00 -0.32 0.20 -1.33 0.00 0.00 177.39 176.63 2qzq s ASN 67 N -4.40 0.61 0.35 -1.43 0.01 -1.24 -5.05 114.94 103.78 2qzq s ASN 67 Ca -0.02 -1.14 -0.28 0.00 -0.71 0.00 0.00 52.86 50.71 2qzq s ASN 67 Cb 0.13 0.22 -0.11 0.00 0.41 0.00 0.00 41.25 41.91 2qzq s ASN 67 CO 0.86 -0.65 1.37 -2.16 -1.51 0.00 0.00 177.10 175.01 2qzq s PRO 68 N -3.97 4.26 0.32 -0.60 0.04 -1.26 -4.72 135.00 129.07 2qzq s PRO 68 Ca 0.19 2.35 -0.27 0.00 0.04 0.00 0.00 61.00 63.31 2qzq s PRO 68 Cb 0.07 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.49 2qzq s PRO 68 CO -0.01 -0.32 1.07 0.08 0.04 0.00 0.00 177.00 177.86 2qzq s VAL 69 N -1.14 3.60 -0.06 -0.36 1.01 -1.26 -4.82 120.40 117.37 2qzq s VAL 69 Ca 0.50 1.46 0.03 0.00 0.00 0.00 0.00 61.98 63.97 2qzq s VAL 69 Cb -0.42 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.09 2qzq s VAL 69 CO 0.57 0.24 -0.14 -1.10 0.00 0.00 0.00 175.10 174.67 2qzq s GLN 70 N -1.82 1.76 -0.18 2.72 -0.21 -0.41 -4.99 119.66 116.53 2qzq s GLN 70 Ca 0.49 -0.47 -0.08 0.00 0.02 0.00 0.00 55.36 55.32 2qzq s GLN 70 Cb -0.28 -1.46 -0.04 0.00 1.00 0.00 0.00 33.01 32.23 2qzq s GLN 70 CO 0.36 0.08 0.10 -0.51 -2.12 0.00 0.00 175.29 173.19 2qzq s ASP 71 N 0.51 5.96 0.78 5.90 1.01 -1.26 -0.35 116.67 129.22 2qzq s ASP 71 Ca -0.12 0.19 -0.12 0.00 0.71 0.00 0.00 52.55 53.20 2qzq s ASP 71 Cb -0.15 -2.02 0.07 0.00 1.01 0.00 0.00 42.92 41.83 2qzq s ASP 71 CO 0.04 0.21 1.14 0.42 0.21 0.00 0.00 175.17 177.18 2qzq s THR 72 N 0.18 2.69 1.01 -1.27 -4.23 0.64 -0.62 115.64 114.03 2qzq s THR 72 Ca 0.07 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.74 2qzq s THR 72 Cb -0.12 -2.65 0.20 0.00 1.34 0.00 0.00 72.50 71.27 2qzq s THR 72 CO -0.00 -0.25 1.10 -2.84 -0.54 0.00 0.00 174.62 172.09 2qzq s PRO 73 N -4.43 0.31 0.26 3.99 0.02 -1.26 -4.29 135.00 129.61 2qzq s PRO 73 Ca 0.67 1.29 -0.30 0.00 0.02 0.00 0.00 61.00 62.68 2qzq s PRO 73 Cb -0.22 -1.66 -0.11 0.00 0.02 0.00 0.00 34.50 32.52 2qzq s PRO 73 CO 0.51 -3.03 1.53 0.08 -0.33 0.00 0.00 177.00 175.76 2qzq s VAL 74 N -2.58 2.36 0.04 3.83 1.01 -1.26 -4.68 120.40 119.11 2qzq s VAL 74 Ca 0.67 0.29 -0.20 0.00 0.00 0.00 0.00 61.98 62.75 2qzq s VAL 74 Cb -0.24 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 2qzq s VAL 74 CO 0.60 0.04 0.57 0.00 0.00 0.00 0.00 175.10 176.32 2qzq s ALA 75 N 0.13 3.56 -0.09 5.51 0.00 -0.09 -4.97 121.76 125.80 2qzq s ALA 75 Ca 0.63 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.67 2qzq s ALA 75 Cb -0.45 -2.66 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 2qzq s ALA 75 CO 0.44 0.31 0.18 0.25 0.00 0.00 0.00 175.76 176.94 2qzq n THR 76 N 2.11 0.00 -2.78 0.00 -2.24 -1.26 -4.30 114.28 105.81 2qzq n THR 76 Ca -0.09 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.05 2qzq n THR 76 Cb 0.51 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 2qzq n THR 76 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qzq s ARG 77 N -2.19 3.49 -0.04 -0.78 0.52 -1.26 -4.98 118.95 113.72 2qzq s ARG 77 Ca -0.01 -1.32 0.02 0.00 -0.52 0.00 0.00 55.73 53.90 2qzq s ARG 77 Cb 0.04 -4.90 -0.03 0.00 0.52 0.00 0.00 34.95 30.58 2qzq s ARG 77 CO 0.26 -1.94 -0.09 0.15 0.02 0.00 0.00 175.30 173.70 2qzq s LYS 78 N 3.80 2.60 0.44 3.54 1.02 -1.26 -0.83 119.74 129.05 2qzq s LYS 78 Ca 0.35 -0.65 0.03 0.00 0.02 0.00 0.00 55.97 55.72 2qzq s LYS 78 Cb -0.05 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 2qzq s LYS 78 CO -0.05 0.63 0.09 -1.21 -0.92 0.00 0.00 175.35 173.89 2qzq s GLU 79 N -0.98 2.01 0.15 1.68 2.02 0.51 -5.01 118.70 119.09 2qzq s GLU 79 Ca 0.14 -2.25 -0.18 0.00 0.02 0.00 0.00 54.97 52.70 2qzq s GLU 79 Cb -0.11 -0.90 0.04 0.00 0.10 0.00 0.00 34.13 33.26 2qzq s GLU 79 CO 0.03 -0.44 1.71 -0.44 0.02 0.00 0.00 175.26 176.14 2qzq h ASP 80 N 1.65 -0.13 0.00 -0.19 5.19 -1.94 -2.13 116.42 118.87 2qzq h ASP 80 Ca -0.38 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2qzq h ASP 80 Cb 1.29 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.92 2qzq h ASP 80 CO 0.62 -0.03 0.00 0.35 -3.12 0.00 0.00 179.24 177.06 2qzq n THR 81 N -5.17 0.51 -4.12 0.35 -2.24 -1.26 -1.92 114.28 100.43 2qzq n THR 81 Ca 0.00 -0.73 -0.15 0.00 -2.27 0.00 0.00 64.05 60.90 2qzq n THR 81 Cb 0.16 0.77 -0.13 0.00 -2.10 0.00 0.00 70.33 69.02 2qzq n THR 81 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2qzq s TYR 82 N -0.51 0.59 -0.18 4.78 2.02 -1.25 -0.81 117.35 121.99 2qzq s TYR 82 Ca 0.00 -0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 2qzq s TYR 82 Cb 0.00 -0.36 0.00 0.00 -0.40 0.00 0.00 41.96 41.20 2qzq s TYR 82 CO 0.00 -0.04 -0.13 0.42 -1.57 0.00 0.00 175.55 174.23 2qzq s ILE 83 N -0.75 2.75 -0.10 2.71 1.01 -0.54 -0.36 121.20 125.92 2qzq s ILE 83 Ca -0.04 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 2qzq s ILE 83 Cb -0.06 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 2qzq s ILE 83 CO 0.00 0.49 0.50 -1.00 0.00 0.00 0.00 174.94 174.93 2qzq s HIS 84 N 1.11 3.54 -0.13 3.97 3.76 -0.01 -1.18 115.29 126.35 2qzq s HIS 84 Ca 0.00 0.94 -0.09 0.00 -0.15 0.00 0.00 55.06 55.77 2qzq s HIS 84 Cb -0.14 -2.56 -0.06 0.00 1.11 0.00 0.00 32.58 30.93 2qzq s HIS 84 CO -0.04 0.20 -0.20 1.19 -0.85 0.00 0.00 174.74 175.04 2qzq n PHE 85 N 3.51 0.00 -3.90 1.40 3.72 -0.22 -4.18 117.46 117.79 2qzq n PHE 85 Ca -0.07 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.95 2qzq n PHE 85 Cb 0.52 -0.50 0.02 0.00 -0.94 0.00 0.00 39.48 38.58 2qzq n PHE 85 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qzq n SER 86 N -3.81 -4.15 -3.97 4.37 7.64 0.19 -4.99 113.62 108.91 2qzq n SER 86 Ca -0.25 -1.15 -0.16 0.00 1.01 0.00 0.00 58.87 58.31 2qzq n SER 86 Cb 0.61 -2.53 -0.14 0.00 -1.01 0.00 0.00 64.21 61.14 2qzq n SER 86 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qzq s VAL 87 N -3.57 0.45 -0.04 0.44 0.11 -0.82 -4.97 120.40 112.00 2qzq s VAL 87 Ca 0.43 -0.27 -0.21 0.00 -2.93 0.00 0.00 61.98 59.00 2qzq s VAL 87 Cb -0.19 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.22 2qzq s VAL 87 CO 0.92 0.11 0.60 -1.81 -3.33 0.00 0.00 175.10 171.59 2qzq s ASP 88 N -0.18 6.93 -0.16 3.54 1.01 -1.26 -0.16 116.67 126.39 2qzq s ASP 88 Ca 0.02 1.11 -0.01 0.00 0.71 0.00 0.00 52.55 54.38 2qzq s ASP 88 Cb -0.02 -2.36 -0.01 0.00 1.01 0.00 0.00 42.92 41.53 2qzq s ASP 88 CO -0.00 0.04 -0.11 -0.69 0.21 0.00 0.00 175.17 174.62 2qzq s VAL 89 N 0.16 3.10 -0.33 -1.27 1.01 0.10 -4.97 120.40 118.21 2qzq s VAL 89 Ca 0.32 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 2qzq s VAL 89 Cb -0.18 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2qzq s VAL 89 CO 0.16 0.50 0.52 -1.61 0.00 0.00 0.00 175.10 174.67 2qzq s GLU 90 N 0.70 3.74 -0.06 2.72 0.41 -1.26 -0.95 118.70 124.01 2qzq s GLU 90 Ca -0.05 -0.03 -0.30 0.00 -0.41 0.00 0.00 54.97 54.18 2qzq s GLU 90 Cb -0.15 -3.77 -0.04 0.00 -1.78 0.00 0.00 34.13 28.39 2qzq s GLU 90 CO 0.02 -0.57 1.32 0.42 -0.49 0.00 0.00 175.26 175.96 2qzq s ILE 91 N 2.38 4.02 -0.25 -1.63 -1.09 -0.67 -4.82 121.20 119.14 2qzq s ILE 91 Ca 0.19 1.34 -0.01 0.00 -2.23 0.00 0.00 60.65 59.94 2qzq s ILE 91 Cb -0.15 -3.86 0.14 0.00 -1.58 0.00 0.00 42.46 37.00 2qzq s ILE 91 CO 0.12 -0.03 2.14 0.00 -1.23 0.00 0.00 174.94 175.94 2qzq n GLN 92 N 5.66 1.69 -3.63 2.79 1.13 -1.26 -4.59 117.38 119.17 2qzq n GLN 92 Ca 0.13 -1.27 -0.11 0.00 -1.94 0.00 0.00 57.00 53.80 2qzq n GLN 92 Cb 0.45 -1.54 -0.07 0.00 0.11 0.00 0.00 30.24 29.19 2qzq n GLN 92 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2qzq s ARG 93 N -1.31 0.73 0.19 -1.09 3.52 -1.26 -4.91 118.95 114.81 2qzq s ARG 93 Ca 0.28 0.93 -0.33 0.00 -0.13 0.00 0.00 55.73 56.48 2qzq s ARG 93 Cb 0.20 0.32 -0.14 0.00 -1.56 0.00 0.00 34.95 33.78 2qzq s ARG 93 CO -0.02 -0.10 1.54 0.72 -0.81 0.00 0.00 175.30 176.63 2qzq n HIS 94 N 2.87 2.29 -0.34 5.12 8.25 -1.26 -4.74 115.22 127.42 2qzq n HIS 94 Ca -0.15 0.30 0.08 0.00 -0.26 0.00 0.00 57.72 57.69 2qzq n HIS 94 Cb 0.56 -2.53 0.24 0.00 1.12 0.00 0.00 29.99 29.38 2qzq n HIS 94 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qzq h LEU 95 N 5.43 0.78 -0.78 2.41 3.38 -1.13 -1.17 115.31 124.23 2qzq h LEU 95 Ca -0.45 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2qzq h LEU 95 Cb 1.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2qzq h LEU 95 CO 0.85 0.37 0.00 -0.62 0.09 0.00 0.00 178.44 179.13 2qzq n GLU 96 N -4.72 0.13 0.00 1.13 4.71 -1.26 -1.90 120.64 118.72 2qzq n GLU 96 Ca 0.19 0.48 0.11 0.00 -0.01 0.00 0.00 57.16 57.93 2qzq n GLU 96 Cb 0.41 -1.81 0.03 0.00 -1.01 0.00 0.00 31.44 29.06 2qzq n GLU 96 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2qzq n LYS 97 N -2.07 0.64 -2.57 3.49 5.02 -0.44 -4.92 118.16 117.32 2qzq n LYS 97 Ca 0.01 -0.51 -0.41 0.00 -2.02 0.00 0.00 58.31 55.39 2qzq n LYS 97 Cb 0.13 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 2qzq n LYS 97 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qzq s LEU 98 N -2.71 4.54 0.59 -0.35 1.43 -0.80 -5.04 118.68 116.35 2qzq s LEU 98 Ca 0.15 2.09 -0.17 0.00 -1.03 0.00 0.00 54.13 55.17 2qzq s LEU 98 Cb 0.17 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 2qzq s LEU 98 CO 0.68 -0.11 1.09 -2.16 0.23 0.00 0.00 176.35 176.08 2qzq s PRO 99 N -0.82 3.23 0.46 1.29 0.04 -1.26 -4.95 135.00 132.98 2qzq s PRO 99 Ca 0.46 1.38 0.15 0.00 0.04 0.00 0.00 61.00 63.03 2qzq s PRO 99 Cb -0.29 -2.01 1.10 0.00 0.04 0.00 0.00 34.50 33.34 2qzq s PRO 99 CO 0.36 -0.91 2.02 0.87 0.04 0.00 0.00 177.00 179.38 2qzq h LYS 100 N 0.64 0.30 -0.63 4.56 6.56 -1.98 -2.03 116.57 123.99 2qzq h LYS 100 Ca -0.48 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 2qzq h LYS 100 Cb 1.24 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2qzq h LYS 100 CO 0.56 0.20 0.00 0.41 -2.06 0.00 0.00 179.45 178.56 2qzq n GLY 101 N -1.54 1.85 3.77 3.86 0.00 -1.26 -4.89 105.19 106.98 2qzq n GLY 101 Ca 0.07 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 2qzq n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qzq s ALA 102 N -1.79 2.50 0.01 4.61 0.00 -0.77 -3.11 121.76 123.21 2qzq s ALA 102 Ca 0.31 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 2qzq s ALA 102 Cb 0.21 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 2qzq s ALA 102 CO 0.14 -1.21 0.02 0.00 0.00 0.00 0.00 175.76 174.71 2qzq s ALA 103 N -2.29 -0.03 -0.22 0.00 0.00 -0.26 -4.63 121.76 114.34 2qzq s ALA 103 Ca 0.67 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 2qzq s ALA 103 Cb -0.21 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 2qzq s ALA 103 CO 0.40 -0.16 0.25 0.42 0.00 0.00 0.00 175.76 176.67 2qzq s ILE 104 N -1.27 5.30 0.02 0.00 1.01 -1.26 -0.75 121.20 124.25 2qzq s ILE 104 Ca -0.14 0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.90 2qzq s ILE 104 Cb -0.08 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2qzq s ILE 104 CO -0.00 0.32 0.07 -0.36 0.00 0.00 0.00 174.94 174.97 2qzq s PHE 105 N 1.09 3.24 -0.19 3.97 0.08 0.57 -4.20 117.98 122.54 2qzq s PHE 105 Ca 0.12 0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.32 2qzq s PHE 105 Cb -0.14 -1.70 0.05 0.00 -0.57 0.00 0.00 43.02 40.67 2qzq s PHE 105 CO 0.05 0.53 -0.02 -0.06 -0.10 0.00 0.00 175.22 175.63 2qzq s PHE 106 N -1.24 1.63 -0.21 0.36 0.08 0.48 -2.04 117.98 117.03 2qzq s PHE 106 Ca 0.24 -1.17 -0.05 0.00 0.12 0.00 0.00 56.93 56.08 2qzq s PHE 106 Cb -0.12 -1.27 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 2qzq s PHE 106 CO 0.16 -0.65 -0.01 -1.21 -0.10 0.00 0.00 175.22 173.40 2qzq s GLU 107 N 1.65 3.51 -0.23 0.44 2.02 0.20 -0.31 118.70 125.99 2qzq s GLU 107 Ca -0.02 -0.57 -0.21 0.00 0.02 0.00 0.00 54.97 54.20 2qzq s GLU 107 Cb -0.17 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 2qzq s GLU 107 CO -0.07 -0.10 0.64 0.12 0.02 0.00 0.00 175.26 175.87 2qzq s PHE 108 N 1.27 3.33 0.15 1.61 5.36 -0.42 -1.00 117.98 128.28 2qzq s PHE 108 Ca 0.04 0.89 0.10 0.00 -0.96 0.00 0.00 56.93 57.00 2qzq s PHE 108 Cb -0.15 -2.83 -0.04 0.00 -0.34 0.00 0.00 43.02 39.66 2qzq s PHE 108 CO 0.00 -0.26 -0.24 0.15 -1.46 0.00 0.00 175.22 173.42 2qzq s LYS 109 N 2.24 1.36 0.16 10.12 1.02 0.58 -1.14 119.74 134.08 2qzq s LYS 109 Ca 0.28 -1.37 -0.22 0.00 0.02 0.00 0.00 55.97 54.68 2qzq s LYS 109 Cb -0.16 -1.69 0.06 0.00 -0.52 0.00 0.00 37.83 35.52 2qzq s LYS 109 CO 0.09 0.38 0.57 -3.38 -0.92 0.00 0.00 175.35 172.10 2qzq s HIS 110 N -1.40 -0.46 -0.16 3.18 -3.43 -0.68 -0.67 115.29 111.66 2qzq s HIS 110 Ca 0.15 0.22 -0.21 0.00 -0.80 0.00 0.00 55.06 54.42 2qzq s HIS 110 Cb -0.09 0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 31.55 2qzq s HIS 110 CO 0.07 -0.85 0.63 -0.47 -2.00 0.00 0.00 174.74 172.12 2qzq s TYR 111 N -3.77 3.43 -0.45 0.38 5.04 0.35 -0.72 117.35 121.60 2qzq s TYR 111 Ca 0.02 0.98 -0.17 0.00 -2.44 0.00 0.00 57.07 55.47 2qzq s TYR 111 Cb -0.01 -2.77 0.04 0.00 0.35 0.00 0.00 41.96 39.57 2qzq s TYR 111 CO -0.12 -0.09 0.43 0.15 -1.34 0.00 0.00 175.55 174.58 2qzq s LYS 112 N 1.57 3.04 0.43 4.97 1.02 -0.48 -4.23 119.74 126.06 2qzq s LYS 112 Ca 0.30 -1.01 0.18 0.00 0.02 0.00 0.00 55.97 55.46 2qzq s LYS 112 Cb -0.16 -4.04 0.98 0.00 -0.52 0.00 0.00 37.83 34.09 2qzq s LYS 112 CO 0.12 -0.95 1.92 -1.35 -0.92 0.00 0.00 175.35 174.17 2qzq h PRO 113 N 8.76 0.00 0.00 -1.68 0.11 -1.96 0.18 132.00 137.41 2qzq h PRO 113 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2qzq h PRO 113 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2qzq h PRO 113 CO 0.84 0.26 0.00 0.87 -0.21 0.00 0.00 178.00 179.75 2qzq h LYS 114 N 0.00 0.00 0.00 1.05 1.57 -1.97 -3.30 116.57 113.92 2qzq h LYS 114 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2qzq h LYS 114 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2qzq h LYS 114 CO 0.03 0.00 -1.50 1.63 -0.57 0.00 0.00 179.45 179.05 2qzq n LYS 115 N -2.71 0.43 -2.70 3.15 4.76 -0.53 -5.01 118.16 115.54 2qzq n LYS 115 Ca 0.02 -0.09 -0.21 0.00 -2.87 0.00 0.00 58.31 55.15 2qzq n LYS 115 Cb 0.33 -1.25 0.01 0.00 -1.84 0.00 0.00 35.03 32.28 2qzq n LYS 115 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qzq n ARG 116 N -1.90 -3.21 -4.13 1.97 1.74 0.53 -5.00 116.66 106.67 2qzq n ARG 116 Ca -0.03 0.95 -0.11 0.00 -0.77 0.00 0.00 57.85 57.89 2qzq n ARG 116 Cb 0.31 -5.71 -0.08 0.00 -1.02 0.00 0.00 32.46 25.96 2qzq n ARG 116 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2qzq s PHE 117 N -3.10 0.90 0.03 -1.55 -0.00 -1.24 -5.00 117.98 108.02 2qzq s PHE 117 Ca 0.15 -1.16 -0.25 0.00 -0.00 0.00 0.00 56.93 55.67 2qzq s PHE 117 Cb -0.06 -0.27 -0.05 0.00 -0.00 0.00 0.00 43.02 42.63 2qzq s PHE 117 CO 0.18 -0.81 0.76 0.99 -0.00 0.00 0.00 175.22 176.34 2qzq s THR 118 N -4.01 4.79 0.04 -4.49 2.01 -1.26 -1.38 115.64 111.34 2qzq s THR 118 Ca 0.33 1.60 0.08 0.00 0.31 0.00 0.00 61.69 64.01 2qzq s THR 118 Cb 0.04 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 2qzq s THR 118 CO 0.12 0.35 -0.23 -0.55 -0.69 0.00 0.00 174.62 173.62 2qzq s SER 119 N 0.09 2.72 -0.21 3.53 0.15 0.10 -4.94 113.70 115.13 2qzq s SER 119 Ca 0.38 -0.53 -0.25 0.00 0.70 0.00 0.00 55.95 56.25 2qzq s SER 119 Cb -0.20 -0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 63.86 2qzq s SER 119 CO 0.22 0.21 0.84 -0.89 1.20 0.00 0.00 173.24 174.82 2qzq s THR 120 N -0.77 4.85 -0.11 6.45 2.01 -1.26 -1.68 115.64 125.12 2qzq s THR 120 Ca 0.09 1.61 -0.14 0.00 0.31 0.00 0.00 61.69 63.56 2qzq s THR 120 Cb -0.09 -4.13 -0.27 0.00 0.01 0.00 0.00 72.50 68.02 2qzq s THR 120 CO 0.02 -0.04 0.50 0.50 -0.69 0.00 0.00 174.62 174.91 2qzq h LYS 121 N 7.52 0.24 -2.45 4.92 3.64 -1.51 -3.43 116.57 125.51 2qzq h LYS 121 Ca -0.25 -0.41 0.16 0.00 -1.27 0.00 0.00 60.65 58.87 2qzq h LYS 121 Cb 1.11 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 33.00 2qzq h LYS 121 CO 0.86 1.20 0.44 0.00 -2.27 0.00 0.00 179.45 179.68 2qzq s PHE 123 N -3.38 0.28 0.10 0.00 -0.71 -0.10 -1.30 117.98 112.87 2qzq s PHE 123 Ca 0.12 -0.73 0.04 0.00 -1.04 0.00 0.00 56.93 55.32 2qzq s PHE 123 Cb -0.02 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.61 2qzq s PHE 123 CO 0.02 -0.53 -0.10 0.00 -1.34 0.00 0.00 175.22 173.27 2qzq s ALA 124 N -3.89 1.16 0.00 1.99 0.00 0.57 -0.50 121.76 121.09 2qzq s ALA 124 Ca 0.07 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2qzq s ALA 124 Cb 0.05 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2qzq s ALA 124 CO -0.09 -0.05 0.00 1.97 0.00 0.00 0.00 175.76 177.59 2qzq n PHE 125 N 0.43 0.00 0.00 0.00 -1.74 -1.26 -0.39 117.46 114.50 2qzq n PHE 125 Ca -0.15 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.74 2qzq n PHE 125 Cb 0.58 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.58 2qzq n PHE 125 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 2qzq n GLU 127 N 0.00 0.00 0.00 3.97 -0.58 -1.26 -4.97 120.64 117.80 2qzq n GLU 127 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qzq n GLU 127 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qzq n GLU 127 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2qzq n ASP 129 N 0.00 0.00 -0.49 1.62 5.75 -1.26 -3.85 116.55 118.33 2qzq n ASP 129 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.91 2qzq n ASP 129 Cb 0.00 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.35 2qzq n ASP 129 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2qzq n GLU 130 N 0.12 1.38 -2.64 0.11 1.02 -1.26 -4.86 120.64 114.50 2qzq n GLU 130 Ca 0.00 -0.98 -0.43 0.00 -0.02 0.00 0.00 57.16 55.73 2qzq n GLU 130 Cb 0.00 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 29.92 2qzq n GLU 130 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2qzq s ILE 131 N -2.30 4.40 -0.07 -3.67 1.01 -1.25 -4.96 121.20 114.36 2qzq s ILE 131 Ca 0.27 1.47 -0.30 0.00 0.00 0.00 0.00 60.65 62.09 2qzq s ILE 131 Cb 0.19 -4.48 0.07 0.00 0.01 0.00 0.00 42.46 38.25 2qzq s ILE 131 CO 0.45 -0.70 0.66 -1.59 0.00 0.00 0.00 174.94 173.76 2qzq s LYS 132 N 3.96 1.02 0.63 2.79 -2.85 -1.26 -5.17 119.74 118.85 2qzq s LYS 132 Ca 0.46 0.30 -0.19 0.00 -1.00 0.00 0.00 55.97 55.54 2qzq s LYS 132 Cb -0.10 0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 36.13 2qzq s LYS 132 CO 0.22 -0.30 1.29 -1.25 0.10 0.00 0.00 175.35 175.41 2qzq s PRO 133 N -1.06 2.68 0.00 1.78 0.04 -1.26 -4.62 135.00 132.56 2qzq s PRO 133 Ca -0.10 2.05 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2qzq s PRO 133 Cb -0.01 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2qzq s PRO 133 CO 0.09 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.05 2qzq n GLY 134 N 0.82 -2.64 3.77 0.56 0.00 -0.31 -4.87 105.19 102.52 2qzq n GLY 134 Ca 0.15 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 2qzq n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qzq s PRO 135 N -0.52 4.06 -0.02 1.61 0.04 -1.26 -1.09 135.00 137.82 2qzq s PRO 135 Ca 0.00 2.19 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 2qzq s PRO 135 Cb 0.00 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2qzq s PRO 135 CO 0.00 -0.42 0.08 -1.50 0.04 0.00 0.00 177.00 175.19 2qzq s ILE 136 N -1.23 0.02 -0.06 0.56 2.07 -0.42 -4.94 121.20 117.19 2qzq s ILE 136 Ca 0.55 -0.13 0.01 0.00 -1.41 0.00 0.00 60.65 59.68 2qzq s ILE 136 Cb -0.39 -0.16 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 2qzq s ILE 136 CO 0.50 -0.07 -0.09 0.68 -1.91 0.00 0.00 174.94 174.06 2qzq s VAL 137 N -0.19 3.56 -0.03 4.00 -7.23 -1.26 -1.13 120.40 118.12 2qzq s VAL 137 Ca -0.02 -0.53 0.03 0.00 -1.81 0.00 0.00 61.98 59.64 2qzq s VAL 137 Cb -0.02 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.48 2qzq s VAL 137 CO 0.00 0.60 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.66 2qzq s ILE 138 N -0.79 0.83 0.65 -0.62 1.01 -0.24 -4.97 121.20 117.08 2qzq s ILE 138 Ca 0.12 -0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 2qzq s ILE 138 Cb -0.11 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 2qzq s ILE 138 CO 0.01 0.26 1.08 -1.83 0.00 0.00 0.00 174.94 174.46 2qzq s GLU 139 N 0.24 2.95 -0.07 2.79 1.03 -1.26 -0.82 118.70 123.57 2qzq s GLU 139 Ca -0.04 1.23 -0.03 0.00 0.03 0.00 0.00 54.97 56.16 2qzq s GLU 139 Cb -0.09 -1.98 -0.04 0.00 -0.80 0.00 0.00 34.13 31.22 2qzq s GLU 139 CO 0.01 -1.11 0.06 -0.51 -1.33 0.00 0.00 175.26 172.38 2qzq s LEU 140 N -4.96 3.88 0.07 1.83 1.43 -1.26 -4.49 118.68 115.18 2qzq s LEU 140 Ca 0.64 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 54.03 2qzq s LEU 140 Cb -0.17 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2qzq s LEU 140 CO 0.44 0.35 -0.16 -0.31 0.23 0.00 0.00 176.35 176.90 2qzq s TYR 141 N -1.01 2.61 0.43 0.29 2.02 0.35 -1.12 117.35 120.90 2qzq s TYR 141 Ca 0.17 -0.22 -0.25 0.00 -0.37 0.00 0.00 57.07 56.40 2qzq s TYR 141 Cb -0.12 -1.43 -0.08 0.00 -0.40 0.00 0.00 41.96 39.93 2qzq s TYR 141 CO 0.06 0.33 1.22 0.15 -1.57 0.00 0.00 175.55 175.75 2qzq s LYS 142 N -1.78 3.88 0.79 -0.62 1.02 0.81 -0.92 119.74 122.91 2qzq s LYS 142 Ca 0.17 1.95 -0.15 0.00 0.02 0.00 0.00 55.97 57.96 2qzq s LYS 142 Cb -0.11 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 2qzq s LYS 142 CO 0.08 -0.50 0.70 0.36 -0.92 0.00 0.00 175.35 175.08 2qzq n LYS 143 N -0.13 0.19 -2.61 1.68 -0.00 -0.90 -4.56 118.16 111.82 2qzq n LYS 143 Ca 0.05 0.12 -0.34 0.00 -0.00 0.00 0.00 58.31 58.14 2qzq n LYS 143 Cb 0.46 -2.01 -0.04 0.00 -0.00 0.00 0.00 35.03 33.43 2qzq n LYS 143 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2qzq s PRO 144 N -3.29 3.93 0.21 -1.58 0.04 -1.26 -5.02 135.00 128.03 2qzq s PRO 144 Ca 0.66 1.26 -0.32 0.00 0.04 0.00 0.00 61.00 62.65 2qzq s PRO 144 Cb -0.31 -2.12 -0.11 0.00 0.04 0.00 0.00 34.50 31.99 2qzq s PRO 144 CO 0.57 -0.31 1.67 0.99 0.04 0.00 0.00 177.00 179.97 2qzq s THR 145 N -2.09 2.15 -0.49 1.26 2.01 -1.26 -4.95 115.64 112.27 2qzq s THR 145 Ca 0.65 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.63 2qzq s THR 145 Cb -0.14 -3.07 0.11 0.00 0.01 0.00 0.00 72.50 69.42 2qzq s THR 145 CO 0.19 0.01 0.40 -0.62 -0.69 0.00 0.00 174.62 173.90 2qzq s ASP 146 N 1.06 5.93 0.00 3.53 -1.08 -1.26 -4.93 116.67 119.92 2qzq s ASP 146 Ca 0.72 -1.74 0.15 0.00 -0.52 0.00 0.00 52.55 51.16 2qzq s ASP 146 Cb -0.48 -2.10 0.67 0.00 -1.46 0.00 0.00 42.92 39.54 2qzq s ASP 146 CO 0.34 -0.73 1.46 0.49 0.52 0.00 0.00 175.17 177.25 2qzq n PHE 147 N 5.07 0.00 1.13 -5.34 3.72 -1.26 -0.69 117.46 120.09 2qzq n PHE 147 Ca -0.11 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.41 2qzq n PHE 147 Cb 0.41 -0.44 0.19 0.00 -0.94 0.00 0.00 39.48 38.70 2qzq n PHE 147 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2qzq n LYS 148 N -1.44 1.07 -4.36 -1.08 5.02 -1.26 -3.87 118.16 112.24 2qzq n LYS 148 Ca 0.05 -0.78 -0.38 0.00 -2.02 0.00 0.00 58.31 55.17 2qzq n LYS 148 Cb 0.16 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 2qzq n LYS 148 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2qzq n ARG 149 N -0.28 -1.89 0.01 1.97 0.00 0.13 -4.88 116.66 111.73 2qzq n ARG 149 Ca 0.11 0.25 -0.17 0.00 -0.00 0.00 0.00 57.85 58.03 2qzq n ARG 149 Cb 0.41 -4.77 -0.14 0.00 -0.00 0.00 0.00 32.46 27.96 2qzq n ARG 149 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2qzq h LYS 150 N -1.26 0.20 -4.16 2.89 1.79 -1.94 -3.45 116.57 110.63 2qzq h LYS 150 Ca -0.60 -0.34 -0.53 0.00 -2.18 0.00 0.00 60.65 56.99 2qzq h LYS 150 Cb 1.39 0.13 -0.37 0.00 -1.58 0.00 0.00 32.23 31.79 2qzq h LYS 150 CO 0.82 1.01 -0.80 0.15 -1.08 0.00 0.00 179.45 179.55 2qzq s LYS 151 N -2.58 1.43 -0.05 3.15 1.02 -1.26 -5.13 119.74 116.31 2qzq s LYS 151 Ca -0.15 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.53 2qzq s LYS 151 Cb 0.07 -1.76 -0.00 0.00 -0.52 0.00 0.00 37.83 35.62 2qzq s LYS 151 CO 0.80 -0.35 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.19 2qzq s LEU 152 N 1.69 1.94 -0.23 3.17 1.43 -1.26 -4.81 118.68 120.61 2qzq s LEU 152 Ca 0.03 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2qzq s LEU 152 Cb -0.14 -1.08 0.05 0.00 0.03 0.00 0.00 46.19 45.04 2qzq s LEU 152 CO -0.08 0.16 -0.13 0.20 0.23 0.00 0.00 176.35 176.73 2qzq s ASN 153 N 0.10 3.87 0.21 2.29 -0.87 -1.26 -5.05 114.94 114.23 2qzq s ASN 153 Ca -0.07 -1.09 -0.30 0.00 -1.57 0.00 0.00 52.86 49.83 2qzq s ASN 153 Cb -0.13 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.25 39.55 2qzq s ASN 153 CO 0.03 -0.13 1.45 -0.22 -2.57 0.00 0.00 177.10 175.66 2qzq s LEU 154 N 1.22 4.38 0.04 0.60 2.96 -1.26 -0.14 118.68 126.49 2qzq s LEU 154 Ca -0.04 2.60 -0.22 0.00 -0.22 0.00 0.00 54.13 56.25 2qzq s LEU 154 Cb -0.17 -3.61 -0.14 0.00 0.50 0.00 0.00 46.19 42.76 2qzq s LEU 154 CO -0.08 -0.71 1.46 0.25 -1.32 0.00 0.00 176.35 175.95 2qzq h LEU 155 N 5.66 0.19 -7.34 -0.68 5.85 -1.42 -3.43 115.31 114.15 2qzq h LEU 155 Ca -0.45 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 57.85 2qzq h LEU 155 Cb 1.21 -0.05 -0.19 0.00 0.37 0.00 0.00 40.66 42.00 2qzq h LEU 155 CO 0.82 0.48 -0.10 0.28 -0.34 0.00 0.00 178.44 179.57 2qzq s THR 156 N -4.89 0.04 -1.25 1.05 -1.32 -1.26 -5.00 115.64 103.01 2qzq s THR 156 Ca -0.14 -0.35 0.25 0.00 -1.21 0.00 0.00 61.69 60.24 2qzq s THR 156 Cb 0.05 -0.82 0.09 0.00 -1.51 0.00 0.00 72.50 70.31 2qzq s THR 156 CO 0.71 -0.19 1.46 0.29 -2.21 0.00 0.00 174.62 174.67 2qzq n LYS 157 N 0.93 0.28 -1.85 7.08 5.02 -1.26 -4.92 118.16 123.43 2qzq n LYS 157 Ca -0.20 -0.16 -0.36 0.00 -2.02 0.00 0.00 58.31 55.56 2qzq n LYS 157 Cb 0.57 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.14 2qzq n LYS 157 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qzq s LYS 158 N -2.84 2.72 -1.33 1.97 1.02 -1.26 -4.86 119.74 115.17 2qzq s LYS 158 Ca 0.15 1.96 -0.08 0.00 0.02 0.00 0.00 55.97 58.02 2qzq s LYS 158 Cb 0.18 -1.88 -0.07 0.00 -0.52 0.00 0.00 37.83 35.54 2qzq s LYS 158 CO 0.64 -1.44 2.61 -0.35 -0.92 0.00 0.00 175.35 175.89 2qzq n PRO 159 N -1.78 3.03 -4.02 -1.68 -0.04 -1.26 -4.75 135.00 124.50 2qzq n PRO 159 Ca 0.15 -1.89 -0.33 0.00 -0.04 0.00 0.00 63.50 61.40 2qzq n PRO 159 Cb 0.49 -2.65 -0.15 0.00 -0.04 0.00 0.00 33.50 31.15 2qzq n PRO 159 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qzq s LEU 160 N 0.14 3.80 0.33 1.53 1.43 -1.26 -5.02 118.68 119.62 2qzq s LEU 160 Ca 0.57 -1.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.23 2qzq s LEU 160 Cb 0.15 -1.61 -0.07 0.00 0.03 0.00 0.00 46.19 44.69 2qzq s LEU 160 CO -0.05 -0.25 -0.01 -0.31 0.23 0.00 0.00 176.35 175.96 2qzq s TYR 161 N 1.11 2.14 -0.14 0.29 2.02 -1.26 -4.65 117.35 116.85 2qzq s TYR 161 Ca -0.05 -0.75 -0.25 0.00 -0.37 0.00 0.00 57.07 55.65 2qzq s TYR 161 Cb -0.20 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 2qzq s TYR 161 CO -0.05 0.27 0.82 -1.17 -1.57 0.00 0.00 175.55 173.85 2qzq s LEU 162 N -3.54 4.21 -0.25 -1.29 2.96 0.00 -0.30 118.68 120.46 2qzq s LEU 162 Ca 0.33 1.20 -0.07 0.00 -0.22 0.00 0.00 54.13 55.36 2qzq s LEU 162 Cb 0.07 -3.22 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 2qzq s LEU 162 CO 0.15 -0.35 0.07 -1.00 -1.32 0.00 0.00 176.35 173.90 2qzq s HIS 163 N 1.88 3.09 0.26 5.38 3.76 -0.13 -1.07 115.29 128.46 2qzq s HIS 163 Ca 0.39 -0.49 0.11 0.00 -0.15 0.00 0.00 55.06 54.92 2qzq s HIS 163 Cb -0.17 -2.24 -0.05 0.00 1.11 0.00 0.00 32.58 31.23 2qzq s HIS 163 CO 0.14 -0.39 -0.20 -0.51 -0.85 0.00 0.00 174.74 172.93 2qzq s LEU 164 N 1.60 2.57 -0.10 0.89 1.43 -0.28 -1.26 118.68 123.53 2qzq s LEU 164 Ca 0.06 -1.01 0.03 0.00 -1.03 0.00 0.00 54.13 52.18 2qzq s LEU 164 Cb -0.15 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.02 2qzq s LEU 164 CO 0.03 0.03 -0.19 0.21 0.23 0.00 0.00 176.35 176.66 2qzq s ASN 165 N -3.39 2.61 -0.17 2.29 2.47 -0.47 -1.30 114.94 116.99 2qzq s ASN 165 Ca 0.28 -0.47 -0.08 0.00 0.42 0.00 0.00 52.86 53.01 2qzq s ASN 165 Cb -0.05 -1.19 -0.04 0.00 -1.45 0.00 0.00 41.25 38.52 2qzq s ASN 165 CO 0.13 0.09 0.11 -1.10 -3.72 0.00 0.00 177.10 172.61 2qzq s GLN 166 N 0.60 3.85 -0.09 0.43 -0.21 -0.25 -0.43 119.66 123.56 2qzq s GLN 166 Ca -0.14 -0.24 0.02 0.00 0.02 0.00 0.00 55.36 55.02 2qzq s GLN 166 Cb -0.17 -3.26 0.01 0.00 1.00 0.00 0.00 33.01 30.60 2qzq s GLN 166 CO 0.04 0.45 -0.13 0.99 -2.12 0.00 0.00 175.29 174.53 2qzq s THR 167 N -0.11 1.29 -0.22 -0.19 2.01 -0.52 -1.16 115.64 116.74 2qzq s THR 167 Ca 0.09 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 2qzq s THR 167 Cb -0.12 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2qzq s THR 167 CO 0.00 0.40 0.07 -0.76 -0.69 0.00 0.00 174.62 173.64 2qzq s LEU 168 N 0.89 3.60 -0.35 4.42 1.02 -1.26 -1.31 118.68 125.69 2qzq s LEU 168 Ca -0.10 -0.08 -0.12 0.00 0.02 0.00 0.00 54.13 53.85 2qzq s LEU 168 Cb -0.15 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.12 2qzq s LEU 168 CO 0.01 0.05 0.21 -1.00 0.02 0.00 0.00 176.35 175.64 2qzq s HIS 169 N 1.10 3.22 0.00 0.29 3.76 0.56 -4.96 115.29 119.26 2qzq s HIS 169 Ca 0.04 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 2qzq s HIS 169 Cb -0.14 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.11 2qzq s HIS 169 CO 0.03 -0.49 0.00 1.17 -0.85 0.00 0.00 174.74 174.60