#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkh n GLN 30 N 0.00 2.77 -4.07 1.61 1.13 -1.26 -4.59 117.38 112.98 2qkh n GLN 30 Ca 0.00 -3.49 -0.22 0.00 -1.94 0.00 0.00 57.00 51.35 2qkh n GLN 30 Cb 0.00 -2.28 -0.05 0.00 0.11 0.00 0.00 30.24 28.02 2qkh n GLN 30 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2qkh s THR 31 N -5.00 3.85 0.30 5.09 -4.23 -1.26 -5.03 115.64 109.37 2qkh s THR 31 Ca 0.56 -1.53 0.14 0.00 -1.18 0.00 0.00 61.69 59.69 2qkh s THR 31 Cb 0.46 -3.19 0.08 0.00 1.34 0.00 0.00 72.50 71.19 2qkh s THR 31 CO -0.26 -0.29 1.76 0.00 -0.54 0.00 0.00 174.62 175.30 2qkh h ALA 32 N 1.51 1.18 -0.34 3.99 0.00 -1.99 -1.64 119.26 121.98 2qkh h ALA 32 Ca -0.46 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.02 2qkh h ALA 32 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2qkh h ALA 32 CO 0.60 0.53 0.06 0.78 0.00 0.00 0.00 179.25 181.22 2qkh h GLY 33 N 1.50 0.60 1.73 0.00 0.00 -1.97 -1.31 103.07 103.63 2qkh h GLY 33 Ca -0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 2qkh h GLY 33 CO 0.06 0.37 -0.39 0.83 0.00 0.00 0.00 176.54 177.40 2qkh h GLU 34 N 0.39 0.31 -0.15 4.80 5.08 -1.83 -1.81 114.58 121.38 2qkh h GLU 34 Ca 0.10 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2qkh h GLU 34 Cb 0.35 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2qkh h GLU 34 CO 0.01 0.66 0.04 1.25 -1.00 0.00 0.00 179.01 179.96 2qkh h LEU 35 N 0.26 0.03 -0.51 1.33 5.85 -1.16 0.60 115.31 121.71 2qkh h LEU 35 Ca 0.03 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2qkh h LEU 35 Cb 0.81 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 2qkh h LEU 35 CO 0.06 0.04 0.30 0.22 -0.34 0.00 0.00 178.44 178.72 2qkh h TYR 36 N 0.10 0.55 -0.53 1.25 3.20 -0.97 -0.29 116.97 120.28 2qkh h TYR 36 Ca 0.06 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.96 2qkh h TYR 36 Cb 0.05 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2qkh h TYR 36 CO -0.12 0.31 0.35 1.96 -1.64 0.00 0.00 178.16 179.01 2qkh h GLN 37 N 0.59 0.68 -0.81 1.82 4.20 -0.98 -1.16 115.11 119.44 2qkh h GLN 37 Ca 0.21 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2qkh h GLN 37 Cb 0.04 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 2qkh h GLN 37 CO -0.11 0.45 0.38 0.00 -0.67 0.00 0.00 178.83 178.89 2qkh h ARG 38 N 0.70 1.17 -0.37 1.46 3.08 -0.55 -2.26 114.38 117.62 2qkh h ARG 38 Ca 0.20 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.08 2qkh h ARG 38 Cb -0.07 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.75 2qkh h ARG 38 CO -0.05 0.91 0.21 2.35 -1.07 0.00 0.00 179.97 182.33 2qkh h TRP 39 N 1.15 0.39 -0.74 3.04 7.01 -0.66 0.13 115.95 126.28 2qkh h TRP 39 Ca 0.28 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.33 2qkh h TRP 39 Cb 0.13 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.02 2qkh h TRP 39 CO 0.01 0.23 0.46 0.93 -2.79 0.00 0.00 178.44 177.28 2qkh h GLU 40 N 0.43 0.85 -0.34 2.65 4.39 -0.99 0.16 114.58 121.72 2qkh h GLU 40 Ca 0.15 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 2qkh h GLU 40 Cb 0.01 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2qkh h GLU 40 CO -0.07 0.56 -0.12 -0.09 -1.16 0.00 0.00 179.01 178.12 2qkh h ARG 41 N 0.87 0.68 -0.40 2.33 2.43 -0.94 -1.48 114.38 117.86 2qkh h ARG 41 Ca 0.31 -0.28 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2qkh h ARG 41 Cb 0.07 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2qkh h ARG 41 CO -0.13 0.87 0.10 -0.92 -1.51 0.00 0.00 179.97 178.37 2qkh h TYR 42 N 0.45 0.17 -0.18 2.20 3.20 -0.20 -0.39 116.97 122.21 2qkh h TYR 42 Ca 0.08 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.99 2qkh h TYR 42 Cb 0.64 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2qkh h TYR 42 CO 0.06 0.04 0.06 -0.09 -1.64 0.00 0.00 178.16 176.59 2qkh h ARG 43 N 0.24 0.15 -0.29 1.82 2.43 -0.55 -1.00 114.38 117.18 2qkh h ARG 43 Ca 0.19 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2qkh h ARG 43 Cb 0.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2qkh h ARG 43 CO -0.23 0.10 0.19 -0.09 -1.51 0.00 0.00 179.97 178.43 2qkh h ARG 44 N 0.15 0.38 -0.48 0.20 2.43 -0.89 -1.83 114.38 114.35 2qkh h ARG 44 Ca 0.08 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2qkh h ARG 44 Cb 0.05 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2qkh h ARG 44 CO -0.08 0.25 0.09 0.93 -1.51 0.00 0.00 179.97 179.65 2qkh h GLU 45 N 0.39 0.73 0.02 0.20 5.08 -0.87 -1.22 114.58 118.90 2qkh h GLU 45 Ca 0.11 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2qkh h GLU 45 Cb -0.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2qkh h GLU 45 CO -0.03 0.68 -0.01 0.00 -1.00 0.00 0.00 179.01 178.66 2qkh h GLN 47 N -0.06 1.22 -0.38 0.00 4.20 -0.96 -0.25 115.11 118.88 2qkh h GLN 47 Ca -0.00 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2qkh h GLN 47 Cb 0.05 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 2qkh h GLN 47 CO 0.00 0.81 0.11 0.93 -0.67 0.00 0.00 178.83 180.01 2qkh h GLU 48 N 1.26 0.60 -0.45 1.46 5.08 -1.05 -0.68 114.58 120.79 2qkh h GLU 48 Ca 0.41 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2qkh h GLU 48 Cb 0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2qkh h GLU 48 CO -0.13 0.62 0.28 1.15 -1.00 0.00 0.00 179.01 179.93 2qkh h THR 49 N 0.47 1.13 -0.65 1.13 2.02 -0.60 -0.29 112.91 116.13 2qkh h THR 49 Ca 0.12 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 2qkh h THR 49 Cb 0.28 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2qkh h THR 49 CO -0.00 0.13 0.20 -0.07 0.37 0.00 0.00 175.52 176.15 2qkh h LEU 50 N 0.61 0.91 -0.80 2.58 3.38 -0.98 -2.09 115.31 118.92 2qkh h LEU 50 Ca 0.16 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2qkh h LEU 50 Cb -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2qkh h LEU 50 CO -0.03 0.85 -0.44 0.00 0.09 0.00 0.00 178.44 178.90 2qkh h ALA 51 N 1.27 0.95 0.00 1.53 0.00 -0.67 -2.48 119.26 119.86 2qkh h ALA 51 Ca 0.21 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2qkh h ALA 51 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2qkh h ALA 51 CO -0.01 0.55 -0.53 0.00 0.00 0.00 0.00 179.25 179.26 2qkh h ALA 52 N 1.56 0.74 -2.24 0.00 0.00 -0.79 -3.44 119.26 115.09 2qkh h ALA 52 Ca -0.00 -0.49 -0.55 0.00 0.00 0.00 0.00 54.91 53.87 2qkh h ALA 52 Cb 1.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2qkh h ALA 52 CO 0.06 0.67 1.10 0.00 0.00 0.00 0.00 179.25 181.08 2qkh s ALA 53 N -3.15 3.56 0.06 0.00 0.00 -0.81 -4.96 121.76 116.47 2qkh s ALA 53 Ca 0.02 0.90 -0.31 0.00 0.00 0.00 0.00 51.96 52.57 2qkh s ALA 53 Cb 0.09 -3.77 -0.07 0.00 0.00 0.00 0.00 23.12 19.38 2qkh s ALA 53 CO 0.74 -1.49 1.38 -1.21 0.00 0.00 0.00 175.76 175.18 2qkh s GLU 54 N 4.16 4.31 0.74 0.00 2.02 -1.26 -4.98 118.70 123.70 2qkh s GLU 54 Ca 0.74 2.01 -0.12 0.00 0.02 0.00 0.00 54.97 57.62 2qkh s GLU 54 Cb -0.33 -3.40 0.04 0.00 0.10 0.00 0.00 34.13 30.55 2qkh s GLU 54 CO 0.30 -0.48 1.10 -2.14 0.02 0.00 0.00 175.26 174.06 2qkh s PRO 55 N 1.66 2.37 0.71 0.39 0.02 -1.26 -4.93 135.00 133.96 2qkh s PRO 55 Ca 0.64 1.25 -0.16 0.00 0.02 0.00 0.00 61.00 62.75 2qkh s PRO 55 Cb -0.34 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.28 2qkh s PRO 55 CO 0.29 -1.56 1.04 -2.30 -0.33 0.00 0.00 177.00 174.13 2qkh n PRO 56 N -3.22 0.58 0.08 5.54 -0.02 -1.26 -4.92 135.00 131.79 2qkh n PRO 56 Ca 0.10 0.25 -0.12 0.00 -2.02 0.00 0.00 63.50 61.72 2qkh n PRO 56 Cb 0.53 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 2qkh n PRO 56 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2qkh h SER 57 N -0.18 0.34 -5.05 2.55 0.02 -2.04 -3.47 113.55 105.73 2qkh h SER 57 Ca -0.48 -0.31 -0.21 0.00 -0.84 0.00 0.00 61.79 59.96 2qkh h SER 57 Cb 1.33 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.78 2qkh h SER 57 CO 0.48 1.15 -0.02 0.61 -1.14 0.00 0.00 176.83 177.91 2qkh n GLY 58 N 1.10 1.85 3.72 -3.77 0.00 -1.26 -5.04 105.19 101.80 2qkh n GLY 58 Ca -0.05 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 2qkh n GLY 58 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qkh n LEU 59 N 0.00 3.99 -3.60 0.99 7.94 -1.26 -5.00 117.00 120.07 2qkh n LEU 59 Ca 0.07 1.14 -0.15 0.00 -1.11 0.00 0.00 56.01 55.95 2qkh n LEU 59 Cb 0.26 -1.55 -0.06 0.00 0.53 0.00 0.00 43.42 42.60 2qkh n LEU 59 CO 0.17 -0.01 0.28 0.00 -1.11 0.00 0.00 177.39 176.72 2qkh s ALA 60 N 0.12 -1.38 0.22 1.96 0.00 -1.26 -4.39 121.76 117.03 2qkh s ALA 60 Ca 0.66 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 2qkh s ALA 60 Cb -0.54 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 2qkh s ALA 60 CO 0.47 -0.40 0.97 0.00 0.00 0.00 0.00 175.76 176.80 2qkh s ASN 62 N -0.93 7.02 0.62 0.00 0.01 -1.26 -1.32 114.94 119.08 2qkh s ASN 62 Ca 0.43 2.39 -0.17 0.00 -0.71 0.00 0.00 52.86 54.79 2qkh s ASN 62 Cb -0.26 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 38.76 2qkh s ASN 62 CO 0.33 -0.39 1.18 -0.83 -1.51 0.00 0.00 177.10 175.88 2qkh s GLY 63 N -0.21 2.53 0.13 0.66 0.00 -1.26 -4.75 107.32 104.42 2qkh s GLY 63 Ca 0.51 0.86 -0.26 0.00 0.00 0.00 0.00 44.72 45.83 2qkh s GLY 63 CO 0.42 1.25 0.97 -1.35 0.00 0.00 0.00 173.10 174.39 2qkh s SER 64 N -1.90 -0.19 -0.23 1.64 1.04 -0.13 -4.90 113.70 109.03 2qkh s SER 64 Ca 0.74 -0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.75 2qkh s SER 64 Cb -0.27 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 2qkh s SER 64 CO 0.36 -0.83 0.09 0.12 0.98 0.00 0.00 173.24 173.95 2qkh s PHE 65 N -3.21 3.17 -1.09 5.02 5.36 -1.26 -0.44 117.98 125.53 2qkh s PHE 65 Ca 0.12 -0.14 0.17 0.00 -0.96 0.00 0.00 56.93 56.12 2qkh s PHE 65 Cb -0.01 -2.20 0.71 0.00 -0.34 0.00 0.00 43.02 41.18 2qkh s PHE 65 CO 0.01 -0.13 1.62 -0.40 -1.46 0.00 0.00 175.22 174.86 2qkh n ASP 66 N 4.41 4.74 0.00 6.13 5.68 -0.93 -4.91 116.55 131.67 2qkh n ASP 66 Ca -0.16 -2.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.66 2qkh n ASP 66 Cb 0.52 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 2qkh n ASP 66 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2qkh n MET 67 N 1.06 0.00 -0.08 0.11 2.81 -1.26 -4.77 117.12 114.98 2qkh n MET 67 Ca 0.25 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.99 2qkh n MET 67 Cb 0.90 -0.36 -0.07 0.00 -0.71 0.00 0.00 33.22 32.98 2qkh n MET 67 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2qkh n TYR 68 N -1.29 0.00 -3.86 2.03 9.36 -1.26 -5.08 117.16 117.07 2qkh n TYR 68 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 2qkh n TYR 68 Cb 0.00 -0.63 -0.08 0.00 -0.63 0.00 0.00 39.34 38.00 2qkh n TYR 68 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2qkh s VAL 69 N -2.32 0.13 -0.14 2.97 0.11 -1.26 -4.78 120.40 115.10 2qkh s VAL 69 Ca -0.23 -1.06 -0.21 0.00 -2.93 0.00 0.00 61.98 57.55 2qkh s VAL 69 Cb 0.08 -1.15 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 2qkh s VAL 69 CO 0.34 -0.59 0.61 0.00 -3.33 0.00 0.00 175.10 172.13 2qkh s TRP 71 N 1.30 3.07 0.88 0.00 0.52 0.42 -4.84 118.94 120.29 2qkh s TRP 71 Ca 0.30 -0.48 -0.11 0.00 0.02 0.00 0.00 56.10 55.82 2qkh s TRP 71 Cb -0.16 -2.19 0.12 0.00 -1.15 0.00 0.00 33.47 30.08 2qkh s TRP 71 CO 0.12 -0.35 1.09 0.34 0.02 0.00 0.00 176.95 178.17 2qkh s ASP 72 N 1.48 3.60 0.36 2.95 2.15 -1.26 -0.96 116.67 124.99 2qkh s ASP 72 Ca 0.06 1.50 -0.28 0.00 0.43 0.00 0.00 52.55 54.26 2qkh s ASP 72 Cb -0.15 -2.19 -0.12 0.00 -0.30 0.00 0.00 42.92 40.17 2qkh s ASP 72 CO 0.02 -2.56 1.38 -1.22 -0.17 0.00 0.00 175.17 172.62 2qkh n TYR 73 N -3.84 2.59 -4.53 -5.34 4.01 -1.26 -4.13 117.16 104.66 2qkh n TYR 73 Ca 0.07 0.50 -0.26 0.00 -0.16 0.00 0.00 57.90 58.05 2qkh n TYR 73 Cb 0.55 -2.47 -0.14 0.00 -0.31 0.00 0.00 39.34 36.98 2qkh n TYR 73 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qkh s ALA 74 N -1.11 1.96 0.34 -0.72 0.00 -0.44 -4.90 121.76 116.89 2qkh s ALA 74 Ca 0.55 -1.22 -0.28 0.00 0.00 0.00 0.00 51.96 51.00 2qkh s ALA 74 Cb -0.53 -0.34 -0.10 0.00 0.00 0.00 0.00 23.12 22.15 2qkh s ALA 74 CO 0.63 0.43 1.30 0.00 0.00 0.00 0.00 175.76 178.12 2qkh s ALA 75 N -0.96 3.47 0.61 0.00 0.00 -1.26 -1.30 121.76 122.32 2qkh s ALA 75 Ca 0.09 1.25 -0.19 0.00 0.00 0.00 0.00 51.96 53.11 2qkh s ALA 75 Cb -0.10 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2qkh s ALA 75 CO 0.03 -0.64 1.26 -2.14 0.00 0.00 0.00 175.76 174.27 2qkh s PRO 76 N -1.83 2.84 -1.30 0.00 0.02 -1.26 -3.86 135.00 129.60 2qkh s PRO 76 Ca 0.49 1.97 -0.07 0.00 0.02 0.00 0.00 61.00 63.41 2qkh s PRO 76 Cb -0.39 -1.94 0.01 0.00 0.02 0.00 0.00 34.50 32.20 2qkh s PRO 76 CO 0.52 -1.35 1.13 -1.71 -0.33 0.00 0.00 177.00 175.26 2qkh n ASN 77 N -1.63 -5.61 -3.67 2.53 5.15 0.10 -4.86 115.26 107.27 2qkh n ASN 77 Ca 0.14 -0.54 -0.14 0.00 -0.60 0.00 0.00 54.58 53.45 2qkh n ASN 77 Cb 0.48 -4.94 -0.07 0.00 -0.53 0.00 0.00 39.78 34.72 2qkh n ASN 77 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qkh s ALA 78 N -3.32 -1.04 -0.20 5.20 0.00 -0.89 -4.97 121.76 116.54 2qkh s ALA 78 Ca 0.48 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 2qkh s ALA 78 Cb -0.21 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2qkh s ALA 78 CO 0.71 -0.39 1.05 0.99 0.00 0.00 0.00 175.76 178.12 2qkh s THR 79 N -2.01 4.67 0.33 0.00 2.01 -1.26 -1.33 115.64 118.04 2qkh s THR 79 Ca -0.08 2.00 -0.16 0.00 0.31 0.00 0.00 61.69 63.76 2qkh s THR 79 Cb -0.02 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.11 2qkh s THR 79 CO 0.01 -0.13 0.75 0.00 -0.69 0.00 0.00 174.62 174.56 2qkh s ALA 80 N 2.93 3.30 -0.04 7.40 0.00 0.18 -4.93 121.76 130.61 2qkh s ALA 80 Ca 0.46 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.53 2qkh s ALA 80 Cb -0.16 -2.81 -0.00 0.00 0.00 0.00 0.00 23.12 20.15 2qkh s ALA 80 CO 0.09 0.31 -0.13 1.03 0.00 0.00 0.00 175.76 177.06 2qkh s ARG 81 N -2.94 1.42 -0.05 0.00 0.52 -1.26 -2.26 118.95 114.38 2qkh s ARG 81 Ca 0.54 -0.47 0.05 0.00 -0.52 0.00 0.00 55.73 55.33 2qkh s ARG 81 Cb -0.10 -1.26 -0.01 0.00 0.52 0.00 0.00 34.95 34.10 2qkh s ARG 81 CO 0.17 0.18 -0.19 0.00 0.02 0.00 0.00 175.30 175.49 2qkh s ALA 82 N 0.11 1.68 0.43 2.13 0.00 -0.28 -4.95 121.76 120.88 2qkh s ALA 82 Ca -0.04 -0.78 -0.26 0.00 0.00 0.00 0.00 51.96 50.89 2qkh s ALA 82 Cb -0.10 -0.54 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 2qkh s ALA 82 CO 0.01 0.31 1.38 0.43 0.00 0.00 0.00 175.76 177.90 2qkh n SER 83 N 3.08 3.11 -4.56 0.00 7.64 -1.26 -0.07 113.62 121.56 2qkh n SER 83 Ca -0.18 1.13 -0.54 0.00 1.01 0.00 0.00 58.87 60.29 2qkh n SER 83 Cb 0.53 -1.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.09 2qkh n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qkh s PRO 85 N 0.27 4.27 0.26 0.00 0.04 -1.26 -4.90 135.00 133.68 2qkh s PRO 85 Ca 0.86 2.28 0.22 0.00 0.04 0.00 0.00 61.00 64.39 2qkh s PRO 85 Cb -1.05 -3.13 0.99 0.00 0.04 0.00 0.00 34.50 31.35 2qkh s PRO 85 CO 0.50 -0.43 1.67 -2.67 0.04 0.00 0.00 177.00 176.12 2qkh n TRP 86 N 2.64 0.74 0.55 0.56 4.27 -1.26 -2.18 117.44 122.77 2qkh n TRP 86 Ca 0.08 0.31 0.11 0.00 -3.89 0.00 0.00 57.50 54.12 2qkh n TRP 86 Cb 0.40 -1.00 0.45 0.00 -1.36 0.00 0.00 31.31 29.80 2qkh n TRP 86 CO 0.00 0.00 0.00 2.48 -2.29 0.00 0.00 177.69 177.88 2qkh n TYR 87 N -2.19 0.57 -1.74 -2.67 0.18 -1.26 -4.82 117.16 105.23 2qkh n TYR 87 Ca 0.01 0.20 -0.41 0.00 1.88 0.00 0.00 57.90 59.58 2qkh n TYR 87 Cb 0.18 -0.83 0.00 0.00 -0.38 0.00 0.00 39.34 38.31 2qkh n TYR 87 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2qkh n LEU 88 N -2.00 4.34 -0.12 -3.48 4.77 -0.92 -4.83 117.00 114.75 2qkh n LEU 88 Ca 0.04 1.19 0.03 0.00 -0.03 0.00 0.00 56.01 57.24 2qkh n LEU 88 Cb 0.28 -1.56 0.34 0.00 -2.33 0.00 0.00 43.42 40.15 2qkh n LEU 88 CO 0.22 -0.21 1.21 -0.65 -1.33 0.00 0.00 177.39 176.63 2qkh h PRO 89 N 2.60 0.76 -0.72 3.23 0.11 -1.92 -2.06 132.00 133.99 2qkh h PRO 89 Ca -0.49 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.40 2qkh h PRO 89 Cb 1.27 -0.17 -0.10 0.00 0.11 0.00 0.00 31.00 32.10 2qkh h PRO 89 CO 0.62 0.50 0.22 -2.67 -0.21 0.00 0.00 178.00 176.47 2qkh n TRP 90 N -4.45 2.43 -0.32 0.65 2.14 -1.26 -4.66 117.44 111.96 2qkh n TRP 90 Ca 0.07 -1.10 0.14 0.00 2.07 0.00 0.00 57.50 58.67 2qkh n TRP 90 Cb 0.08 -0.66 0.32 0.00 -0.81 0.00 0.00 31.31 30.24 2qkh n TRP 90 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 2qkh h HIS 91 N 3.00 0.85 -0.68 -2.67 2.76 -1.69 -0.09 115.15 116.63 2qkh h HIS 91 Ca 0.21 0.04 0.16 0.00 -2.20 0.00 0.00 60.37 58.58 2qkh h HIS 91 Cb 2.29 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 30.98 2qkh h HIS 91 CO 1.27 0.07 0.47 1.12 -1.30 0.00 0.00 177.93 179.56 2qkh h HIS 92 N 0.55 0.29 0.00 5.26 2.07 -1.85 -0.13 115.15 121.34 2qkh h HIS 92 Ca 0.57 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 58.09 2qkh h HIS 92 Cb 1.02 -0.09 -0.00 0.00 2.57 0.00 0.00 27.41 30.91 2qkh h HIS 92 CO -0.07 0.11 -0.05 0.45 -3.07 0.00 0.00 177.93 175.30 2qkh h HIS 93 N 0.25 0.00 0.00 6.12 -0.00 -1.39 -3.35 115.15 116.78 2qkh h HIS 93 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.70 2qkh h HIS 93 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 2qkh h HIS 93 CO -0.00 0.05 -0.04 1.33 -0.00 0.00 0.00 177.93 179.27 2qkh n VAL 94 N -3.11 1.19 0.13 2.45 0.24 -0.27 -4.82 118.33 114.14 2qkh n VAL 94 Ca 0.04 -1.34 0.05 0.00 -2.04 0.00 0.00 64.34 61.04 2qkh n VAL 94 Cb 0.54 0.25 0.49 0.00 -1.47 0.00 0.00 33.84 33.64 2qkh n VAL 94 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qkh h ALA 95 N 0.00 1.75 -0.00 2.33 0.00 -1.24 -0.42 119.26 121.68 2qkh h ALA 95 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qkh h ALA 95 Cb 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2qkh h ALA 95 CO 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 179.25 179.41 2qkh n ALA 96 N -2.50 2.59 -1.95 0.00 0.00 -1.26 -4.50 120.51 112.88 2qkh n ALA 96 Ca -0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.00 2qkh n ALA 96 Cb 0.14 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.21 2qkh n ALA 96 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qkh s GLY 97 N -2.51 1.71 0.04 0.00 0.00 -0.17 -4.96 107.32 101.43 2qkh s GLY 97 Ca 0.30 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 44.06 2qkh s GLY 97 CO 0.46 -0.63 -0.11 -1.36 0.00 0.00 0.00 173.10 171.47 2qkh s PHE 98 N -3.12 0.92 0.11 1.90 0.08 -1.26 -1.57 117.98 115.04 2qkh s PHE 98 Ca 0.59 -0.38 -0.22 0.00 0.12 0.00 0.00 56.93 57.03 2qkh s PHE 98 Cb -0.11 -0.54 -0.07 0.00 -0.57 0.00 0.00 43.02 41.73 2qkh s PHE 98 CO 0.43 -0.01 0.67 0.08 -0.10 0.00 0.00 175.22 176.29 2qkh s VAL 99 N -1.00 4.57 0.09 -0.44 1.01 0.89 -4.42 120.40 121.10 2qkh s VAL 99 Ca -0.03 1.45 0.09 0.00 0.00 0.00 0.00 61.98 63.49 2qkh s VAL 99 Cb -0.08 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2qkh s VAL 99 CO 0.01 0.53 -0.21 -0.76 0.00 0.00 0.00 175.10 174.67 2qkh s LEU 100 N -1.09 2.51 -0.09 3.92 1.43 -0.42 -1.13 118.68 123.82 2qkh s LEU 100 Ca 0.32 -0.56 -0.28 0.00 -1.03 0.00 0.00 54.13 52.58 2qkh s LEU 100 Cb -0.21 -1.43 0.07 0.00 0.03 0.00 0.00 46.19 44.64 2qkh s LEU 100 CO 0.22 0.21 0.65 -0.60 0.23 0.00 0.00 176.35 177.07 2qkh s ARG 101 N -1.78 0.97 -0.14 1.70 3.52 -0.96 -1.15 118.95 121.10 2qkh s ARG 101 Ca 0.15 0.38 -0.12 0.00 -0.13 0.00 0.00 55.73 56.01 2qkh s ARG 101 Cb -0.10 0.46 -0.05 0.00 -1.56 0.00 0.00 34.95 33.70 2qkh s ARG 101 CO 0.07 -0.26 0.25 -1.14 -0.81 0.00 0.00 175.30 173.41 2qkh s GLN 102 N -0.84 4.06 -0.30 5.12 2.00 -1.26 0.51 119.66 128.94 2qkh s GLN 102 Ca -0.09 0.04 -0.11 0.00 -2.00 0.00 0.00 55.36 53.20 2qkh s GLN 102 Cb -0.01 -3.36 -0.04 0.00 0.80 0.00 0.00 33.01 30.40 2qkh s GLN 102 CO 0.07 0.40 0.20 0.00 -0.50 0.00 0.00 175.29 175.46 2qkh s GLY 104 N 1.73 1.60 0.42 0.00 0.00 0.14 0.03 107.32 111.24 2qkh s GLY 104 Ca 0.07 -0.14 0.29 0.00 0.00 0.00 0.00 44.72 44.94 2qkh s GLY 104 CO 0.10 0.39 1.88 1.48 0.00 0.00 0.00 173.10 176.95 2qkh h SER 105 N -1.67 0.00 -0.51 1.64 4.64 -1.89 -1.83 113.55 113.92 2qkh h SER 105 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2qkh h SER 105 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2qkh h SER 105 CO 0.55 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.61 2qkh n ASP 106 N -2.63 2.98 -0.53 4.97 5.75 -1.26 -4.76 116.55 121.07 2qkh n ASP 106 Ca 0.00 -1.97 -0.07 0.00 -0.01 0.00 0.00 54.79 52.74 2qkh n ASP 106 Cb 0.20 -0.34 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 2qkh n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qkh n GLY 107 N 1.40 0.91 3.58 6.12 0.00 -0.72 -4.94 105.19 111.53 2qkh n GLY 107 Ca 0.19 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 2qkh n GLY 107 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qkh s GLN 108 N -2.51 3.14 0.44 1.61 -1.52 -1.26 -3.74 119.66 115.82 2qkh s GLN 108 Ca 0.00 -0.50 -0.25 0.00 -1.95 0.00 0.00 55.36 52.67 2qkh s GLN 108 Cb 0.00 -2.76 -0.08 0.00 -0.22 0.00 0.00 33.01 29.95 2qkh s GLN 108 CO 0.00 0.53 1.28 -1.58 -0.25 0.00 0.00 175.29 175.27 2qkh s TRP 109 N -0.42 2.74 0.95 0.91 0.52 -1.26 -0.69 118.94 121.69 2qkh s TRP 109 Ca 0.07 1.43 -0.16 0.00 0.02 0.00 0.00 56.10 57.46 2qkh s TRP 109 Cb -0.12 -3.63 0.23 0.00 -1.15 0.00 0.00 33.47 28.80 2qkh s TRP 109 CO 0.02 -2.10 0.97 0.41 0.02 0.00 0.00 176.95 176.27 2qkh n GLY 110 N 0.63 -2.30 0.10 0.98 0.00 0.49 -4.84 105.19 100.24 2qkh n GLY 110 Ca 0.06 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.59 2qkh n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qkh n LEU 111 N 0.00 0.77 -4.95 0.99 4.77 -1.26 -4.86 117.00 112.46 2qkh n LEU 111 Ca 0.13 0.31 -0.23 0.00 -0.03 0.00 0.00 56.01 56.19 2qkh n LEU 111 Cb 0.48 0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 2qkh n LEU 111 CO 0.34 -0.04 0.10 -1.66 -1.33 0.00 0.00 177.39 174.81 2qkh s TRP 112 N -3.20 3.48 -0.10 -1.77 1.48 -1.26 -5.11 118.94 112.47 2qkh s TRP 112 Ca -0.02 0.23 -0.07 0.00 -1.06 0.00 0.00 56.10 55.18 2qkh s TRP 112 Cb 0.09 -1.79 0.04 0.00 -1.16 0.00 0.00 33.47 30.65 2qkh s TRP 112 CO 0.81 0.23 0.24 0.50 -4.06 0.00 0.00 176.95 174.67 2qkh s ARG 113 N -4.21 0.24 -0.24 3.25 3.52 -1.26 -4.46 118.95 115.79 2qkh s ARG 113 Ca 0.38 0.44 -0.00 0.00 -0.13 0.00 0.00 55.73 56.42 2qkh s ARG 113 Cb -0.09 -0.00 0.03 0.00 -1.56 0.00 0.00 34.95 33.33 2qkh s ARG 113 CO 0.34 -0.10 -0.09 0.34 -0.81 0.00 0.00 175.30 174.97 2qkh s ASP 114 N 0.74 4.15 -0.09 -2.12 -1.08 -0.30 -4.96 116.67 113.01 2qkh s ASP 114 Ca -0.05 -0.95 0.13 0.00 -0.52 0.00 0.00 52.55 51.15 2qkh s ASP 114 Cb -0.06 -1.61 0.34 0.00 -1.46 0.00 0.00 42.92 40.12 2qkh s ASP 114 CO -0.04 -0.12 1.26 0.00 0.52 0.00 0.00 175.17 176.78 2qkh n HIS 115 N 4.61 0.48 -0.14 -5.34 1.44 -1.26 -1.30 115.22 113.71 2qkh n HIS 115 Ca -0.17 -0.73 0.13 0.00 -2.01 0.00 0.00 57.72 54.94 2qkh n HIS 115 Cb 0.46 -0.16 0.48 0.00 0.12 0.00 0.00 29.99 30.89 2qkh n HIS 115 CO 0.00 0.00 0.00 1.79 -2.81 0.00 0.00 176.34 175.32 2qkh h THR 116 N 1.25 0.87 0.00 0.61 1.35 -1.93 -0.33 112.91 114.73 2qkh h THR 116 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2qkh h THR 116 Cb 1.00 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 2qkh h THR 116 CO 0.08 0.09 0.00 1.56 -0.25 0.00 0.00 175.52 177.00 2qkh h GLN 117 N 0.47 0.00 -0.41 4.72 4.20 -1.85 -2.79 115.11 119.45 2qkh h GLN 117 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2qkh h GLN 117 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2qkh h GLN 117 CO -0.10 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.06 2qkh s GLU 119 N -1.23 3.16 -0.03 0.00 2.02 -1.06 -4.95 118.70 116.62 2qkh s GLU 119 Ca 0.35 1.25 -0.30 0.00 0.02 0.00 0.00 54.97 56.29 2qkh s GLU 119 Cb 0.20 -2.01 -0.07 0.00 0.10 0.00 0.00 34.13 32.35 2qkh s GLU 119 CO 0.27 -0.94 1.77 1.21 0.02 0.00 0.00 175.26 177.58 2qkh s ASN 120 N -2.77 6.58 0.00 -0.19 3.84 -1.26 -4.85 114.94 116.29 2qkh s ASN 120 Ca 0.64 2.38 0.21 0.00 0.21 0.00 0.00 52.86 56.30 2qkh s ASN 120 Cb -0.17 -2.53 1.00 0.00 -0.55 0.00 0.00 41.25 39.00 2qkh s ASN 120 CO 0.39 -0.98 1.67 -0.81 -2.79 0.00 0.00 177.10 174.57 2qkh n PRO 121 N 7.30 0.20 -0.60 0.43 -0.04 -1.26 -5.19 135.00 135.83 2qkh n PRO 121 Ca 0.18 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2qkh n PRO 121 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2qkh n PRO 121 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85