#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qry s SER 2 N 0.00 0.04 0.01 1.61 0.01 -1.26 -5.05 113.70 109.07 1qry s SER 2 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1qry s SER 2 Cb 0.00 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1qry s SER 2 CO 0.00 -0.46 0.00 1.41 0.41 0.00 0.00 173.24 174.60 1qry n HIS 3 N 1.06 -2.82 -3.27 2.43 -0.00 -1.26 -4.90 115.22 106.46 1qry n HIS 3 Ca -0.21 1.68 -0.38 0.00 -0.00 0.00 0.00 57.72 58.82 1qry n HIS 3 Cb 0.57 -2.65 -0.06 0.00 -0.00 0.00 0.00 29.99 27.85 1qry n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1qry s MET 4 N -0.35 4.16 0.00 -0.41 1.00 -1.26 -4.93 119.30 117.52 1qry s MET 4 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 55.69 56.39 1qry s MET 4 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 34.83 31.68 1qry s MET 4 CO 0.00 0.59 0.00 0.45 0.00 0.00 0.00 175.02 176.06 1qry n SER 5 N 1.46 0.07 -2.40 3.03 2.88 -1.26 -5.12 113.62 112.27 1qry n SER 5 Ca -0.09 -0.01 -0.01 0.00 -1.33 0.00 0.00 58.87 57.43 1qry n SER 5 Cb 0.51 0.03 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1qry n SER 5 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1qry n ASP 6 N -0.04 -6.55 -4.34 -3.46 9.92 -1.26 -5.02 116.55 105.80 1qry n ASP 6 Ca 0.00 1.65 -0.25 0.00 -0.53 0.00 0.00 54.79 55.66 1qry n ASP 6 Cb 0.00 -4.71 -0.12 0.00 -0.64 0.00 0.00 41.12 35.65 1qry n ASP 6 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1qry s GLY 7 N -0.53 1.43 -0.53 0.44 0.00 -1.26 -5.09 107.32 101.79 1qry s GLY 7 Ca -0.06 -1.42 0.05 0.00 0.00 0.00 0.00 44.72 43.29 1qry s GLY 7 CO 0.17 -1.43 0.46 1.04 0.00 0.00 0.00 173.10 173.33 1qry n LEU 8 N 0.72 1.20 -0.69 0.66 4.32 -1.26 -4.92 117.00 117.02 1qry n LEU 8 Ca -0.16 -4.81 0.00 0.00 -0.02 0.00 0.00 56.01 51.02 1qry n LEU 8 Cb 0.55 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1qry n LEU 8 CO 0.25 1.88 0.34 -0.81 -1.22 0.00 0.00 177.39 177.83 1qry n PRO 9 N 2.13 0.98 0.00 3.23 -0.04 -1.26 -3.26 135.00 136.77 1qry n PRO 9 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1qry n PRO 9 Cb 0.44 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1qry n PRO 9 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1qry n ASN 10 N 0.20 0.00 0.00 3.54 5.15 -1.26 -5.02 115.26 117.87 1qry n ASN 10 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1qry n ASN 10 Cb 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 1qry n ASN 10 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1qry n LYS 11 N -0.02 0.00 -1.58 1.20 3.00 -1.20 -4.86 118.16 114.69 1qry n LYS 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1qry n LYS 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1qry n LYS 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1qry n LYS 12 N 0.00 -3.93 -1.25 1.64 4.81 -1.26 -4.52 118.16 113.65 1qry n LYS 12 Ca 0.00 2.97 -0.26 0.00 -0.87 0.00 0.00 58.31 60.15 1qry n LYS 12 Cb 0.00 -3.55 0.02 0.00 0.02 0.00 0.00 35.03 31.52 1qry n LYS 12 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1qry n ARG 13 N -1.48 2.26 0.00 1.64 1.74 -1.26 -4.92 116.66 114.64 1qry n ARG 13 Ca 0.00 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 1qry n ARG 13 Cb 0.15 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 1qry n ARG 13 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qry n LYS 14 N 0.09 0.00 -4.14 5.56 4.76 -1.26 -4.65 118.16 118.52 1qry n LYS 14 Ca 0.45 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.57 1qry n LYS 14 Cb 0.55 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.71 1qry n LYS 14 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1qry n ARG 15 N 0.00 -2.98 -0.98 1.97 1.74 -1.26 -4.83 116.66 110.32 1qry n ARG 15 Ca 0.00 0.36 -0.37 0.00 -0.77 0.00 0.00 57.85 57.07 1qry n ARG 15 Cb 0.00 -4.75 0.03 0.00 -1.02 0.00 0.00 32.46 26.72 1qry n ARG 15 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1qry n ARG 16 N -4.40 0.00 -1.40 5.56 0.00 -1.26 -4.72 116.66 110.44 1qry n ARG 16 Ca -0.10 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.37 1qry n ARG 16 Cb 0.58 -0.98 0.04 0.00 -0.00 0.00 0.00 32.46 32.10 1qry n ARG 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1qry n VAL 17 N -3.05 1.91 0.00 8.89 3.14 -1.26 -4.99 118.33 122.97 1qry n VAL 17 Ca -0.02 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1qry n VAL 17 Cb 0.67 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.84 1qry n VAL 17 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1qry n LEU 18 N 0.61 0.00 -1.57 6.55 4.77 -1.26 -5.04 117.00 121.05 1qry n LEU 18 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1qry n LEU 18 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1qry n LEU 18 CO 0.51 0.00 -0.46 0.49 -1.33 0.00 0.00 177.39 176.60 1qry n PHE 19 N 0.00 -4.07 -1.65 -1.77 3.72 -1.26 -4.52 117.46 107.91 1qry n PHE 19 Ca 0.00 2.20 -0.48 0.00 -0.05 0.00 0.00 57.45 59.12 1qry n PHE 19 Cb 0.00 -3.39 -0.05 0.00 -0.94 0.00 0.00 39.48 35.10 1qry n PHE 19 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1qry n THR 20 N -2.50 0.53 -0.46 4.37 -2.24 -1.26 -4.69 114.28 108.03 1qry n THR 20 Ca 0.00 -0.16 0.37 0.00 -2.27 0.00 0.00 64.05 62.00 1qry n THR 20 Cb 0.43 -1.95 0.58 0.00 -2.10 0.00 0.00 70.33 67.29 1qry n THR 20 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qry n LYS 21 N 7.09 0.00 0.25 -0.78 4.01 -1.26 0.19 118.16 127.66 1qry n LYS 21 Ca 0.25 0.86 -0.10 0.00 -0.51 0.00 0.00 58.31 58.81 1qry n LYS 21 Cb 0.31 -2.03 -0.05 0.00 -0.51 0.00 0.00 35.03 32.75 1qry n LYS 21 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qry h ALA 22 N 0.69 -1.14 -3.00 7.82 0.00 -1.95 0.40 119.26 122.07 1qry h ALA 22 Ca 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1qry h ALA 22 Cb 2.87 0.31 0.00 0.00 0.00 0.00 0.00 17.79 20.97 1qry h ALA 22 CO -0.01 -1.11 0.00 1.04 0.00 0.00 0.00 179.25 179.18 1qry n GLN 23 N -3.86 0.00 -0.12 0.00 6.02 0.52 0.36 117.38 120.30 1qry n GLN 23 Ca -0.08 0.10 0.17 0.00 -0.01 0.00 0.00 57.00 57.18 1qry n GLN 23 Cb 0.26 -0.62 0.26 0.00 1.02 0.00 0.00 30.24 31.16 1qry n GLN 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1qry n THR 24 N -0.22 0.00 0.00 5.09 -1.04 -1.15 -0.68 114.28 116.27 1qry n THR 24 Ca 0.00 0.79 0.00 0.00 -2.04 0.00 0.00 64.05 62.80 1qry n THR 24 Cb 0.00 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 1qry n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qry n TYR 25 N -2.48 0.00 -0.29 -1.42 9.36 0.16 0.79 117.16 123.28 1qry n TYR 25 Ca 0.14 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.34 1qry n TYR 25 Cb 0.95 -0.25 0.04 0.00 -0.63 0.00 0.00 39.34 39.45 1qry n TYR 25 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1qry h GLU 26 N 0.00 -0.07 -0.85 2.98 5.08 -0.12 2.20 114.58 123.80 1qry h GLU 26 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1qry h GLU 26 Cb 0.00 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.11 1qry h GLU 26 CO 0.00 -0.05 -0.25 1.25 -1.00 0.00 0.00 179.01 178.96 1qry h LEU 27 N -0.07 -0.93 0.33 1.33 6.46 -0.99 0.26 115.31 121.70 1qry h LEU 27 Ca 0.30 0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 58.31 1qry h LEU 27 Cb 0.58 0.57 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1qry h LEU 27 CO -0.83 -0.29 -0.16 -0.33 -0.62 0.00 0.00 178.44 176.21 1qry h GLU 28 N -0.02 -0.42 -1.09 1.25 4.39 0.94 -2.51 114.58 117.13 1qry h GLU 28 Ca 0.38 0.03 0.42 0.00 0.34 0.00 0.00 59.36 60.53 1qry h GLU 28 Cb 0.61 0.10 -0.16 0.00 -0.10 0.00 0.00 28.75 29.20 1qry h GLU 28 CO -0.87 -0.13 0.62 0.00 -1.16 0.00 0.00 179.01 177.47 1qry h ARG 29 N -0.70 0.05 -0.60 2.33 3.08 0.36 4.58 114.38 123.48 1qry h ARG 29 Ca -0.04 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1qry h ARG 29 Cb 0.48 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1qry h ARG 29 CO 0.07 0.04 0.40 -0.09 -1.07 0.00 0.00 179.97 179.32 1qry h ARG 30 N 0.06 0.71 -0.76 0.04 1.12 -0.17 -1.29 114.38 114.09 1qry h ARG 30 Ca 0.84 -0.04 0.15 0.00 -1.11 0.00 0.00 59.98 59.82 1qry h ARG 30 Cb 2.29 -0.16 -0.10 0.00 -0.01 0.00 0.00 29.97 31.98 1qry h ARG 30 CO -0.67 0.47 0.27 0.35 -3.11 0.00 0.00 179.97 177.28 1qry h PHE 31 N 0.74 0.45 0.00 2.20 3.04 0.94 2.21 116.94 126.51 1qry h PHE 31 Ca 0.23 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.22 1qry h PHE 31 Cb 0.03 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.46 1qry h PHE 31 CO -0.00 0.01 0.00 0.54 -2.02 0.00 0.00 178.31 176.84 1qry n ARG 32 N -5.05 0.00 -0.14 1.11 3.00 -0.49 -2.02 116.66 113.06 1qry n ARG 32 Ca 0.15 0.38 -0.04 0.00 -0.01 0.00 0.00 57.85 58.33 1qry n ARG 32 Cb 0.45 -1.36 0.04 0.00 0.00 0.00 0.00 32.46 31.59 1qry n ARG 32 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1qry h GLN 33 N 0.00 0.20 -4.34 5.56 4.20 -1.47 -3.38 115.11 115.88 1qry h GLN 33 Ca 0.00 -0.01 -0.56 0.00 0.06 0.00 0.00 58.65 58.13 1qry h GLN 33 Cb 0.00 -0.05 -0.37 0.00 0.30 0.00 0.00 27.48 27.36 1qry h GLN 33 CO 0.00 0.13 -0.81 -1.14 -0.67 0.00 0.00 178.83 176.35 1qry s GLN 34 N -6.15 1.72 0.00 1.46 2.00 0.74 -4.95 119.66 114.48 1qry s GLN 34 Ca -0.13 -0.49 0.20 0.00 -2.00 0.00 0.00 55.36 52.94 1qry s GLN 34 Cb 0.14 -1.95 0.19 0.00 0.80 0.00 0.00 33.01 32.19 1qry s GLN 34 CO 0.72 -0.34 1.17 2.89 -0.50 0.00 0.00 175.29 179.23 1qry n ARG 35 N 4.85 1.90 -2.47 1.67 1.85 -0.86 -2.38 116.66 121.22 1qry n ARG 35 Ca -0.13 -1.78 -0.12 0.00 -1.00 0.00 0.00 57.85 54.82 1qry n ARG 35 Cb 0.49 -1.40 0.03 0.00 -1.05 0.00 0.00 32.46 30.53 1qry n ARG 35 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1qry n TYR 36 N 1.17 2.00 -0.89 2.89 0.18 -1.26 -5.01 117.16 116.24 1qry n TYR 36 Ca 0.13 -2.30 -0.31 0.00 1.88 0.00 0.00 57.90 57.29 1qry n TYR 36 Cb 0.52 -0.27 -0.03 0.00 -0.38 0.00 0.00 39.34 39.18 1qry n TYR 36 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1qry n LEU 37 N -0.59 -0.63 0.00 -3.48 4.32 -1.26 -4.93 117.00 110.44 1qry n LEU 37 Ca 0.24 0.71 0.00 0.00 -0.02 0.00 0.00 56.01 56.94 1qry n LEU 37 Cb 0.86 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1qry n LEU 37 CO 0.24 -1.74 0.00 -0.24 -1.22 0.00 0.00 177.39 174.43 1qry n SER 38 N 1.19 0.00 0.00 -1.43 2.88 -1.26 -4.74 113.62 110.26 1qry n SER 38 Ca 0.12 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.57 1qry n SER 38 Cb 0.14 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.46 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qry h ALA 39 N 1.00 0.64 0.00 -1.46 0.00 -1.99 -2.72 119.26 114.73 1qry h ALA 39 Ca 0.00 -1.30 -0.18 0.00 0.00 0.00 0.00 54.91 53.44 1qry h ALA 39 Cb 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1qry h ALA 39 CO 0.00 1.48 -1.74 -0.35 0.00 0.00 0.00 179.25 178.64 1qry n PRO 40 N -3.15 0.64 -0.09 0.00 -0.04 -1.26 -4.05 135.00 127.06 1qry n PRO 40 Ca -0.12 0.09 -0.20 0.00 -0.04 0.00 0.00 63.50 63.23 1qry n PRO 40 Cb 1.02 -1.69 -0.12 0.00 -0.04 0.00 0.00 33.50 32.67 1qry n PRO 40 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1qry h GLU 41 N 0.00 0.01 -0.81 0.54 3.07 -1.93 -3.35 114.58 112.12 1qry h GLU 41 Ca -0.22 -0.02 0.14 0.00 -0.50 0.00 0.00 59.36 58.76 1qry h GLU 41 Cb 1.61 0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 29.39 1qry h GLU 41 CO 0.03 1.01 -0.31 0.00 -1.40 0.00 0.00 179.01 178.35 1qry h ARG 42 N -0.96 -0.05 -0.73 2.33 3.08 -1.70 0.98 114.38 117.33 1qry h ARG 42 Ca -0.26 0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.96 1qry h ARG 42 Cb 1.25 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 31.18 1qry h ARG 42 CO -0.14 -0.04 -0.12 0.39 -1.07 0.00 0.00 179.97 178.99 1qry n GLU 43 N -5.49 -0.06 -0.06 0.04 -0.58 -1.26 0.18 120.64 113.42 1qry n GLU 43 Ca 0.09 1.13 -0.09 0.00 -0.42 0.00 0.00 57.16 57.88 1qry n GLU 43 Cb 0.40 -1.72 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 1qry n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1qry h HIS 44 N 0.00 -0.76 0.86 -0.32 2.76 0.86 0.11 115.15 118.66 1qry h HIS 44 Ca 0.38 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.55 1qry h HIS 44 Cb 0.65 0.38 0.01 0.00 1.55 0.00 0.00 27.41 29.99 1qry h HIS 44 CO -0.51 -0.35 -0.41 1.25 -1.30 0.00 0.00 177.93 176.60 1qry h LEU 45 N -0.28 -0.98 -0.19 0.26 7.12 0.20 -0.84 115.31 120.59 1qry h LEU 45 Ca 0.14 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.18 1qry h LEU 45 Cb 0.50 0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1qry h LEU 45 CO -0.42 -0.69 0.53 0.35 -0.13 0.00 0.00 178.44 178.07 1qry n THR 46 N -5.16 0.28 0.04 1.05 -2.24 0.52 0.37 114.28 109.14 1qry n THR 46 Ca -0.14 0.66 -0.22 0.00 -2.27 0.00 0.00 64.05 62.07 1qry n THR 46 Cb 0.46 -1.66 -0.14 0.00 -2.10 0.00 0.00 70.33 66.88 1qry n THR 46 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1qry h SER 47 N 0.00 0.51 0.00 3.42 4.64 0.67 -3.22 113.55 119.57 1qry h SER 47 Ca 0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 1qry h SER 47 Cb 1.05 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1qry h SER 47 CO 0.00 1.79 0.00 0.18 -0.87 0.00 0.00 176.83 177.93 1qry n LEU 48 N -3.62 0.00 -1.29 5.97 7.99 1.18 -4.32 117.00 122.91 1qry n LEU 48 Ca -0.27 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.70 1qry n LEU 48 Cb 1.04 0.00 0.13 0.00 -0.11 0.00 0.00 43.42 44.48 1qry n LEU 48 CO 0.47 0.00 0.66 2.30 -1.51 0.00 0.00 177.39 179.31 1qry n ILE 49 N 0.00 1.53 0.00 -0.08 -0.00 -1.12 -4.88 119.36 114.81 1qry n ILE 49 Ca 0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 62.75 62.05 1qry n ILE 49 Cb 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 39.64 39.07 1qry n ILE 49 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1qry n ARG 50 N 0.06 0.00 -1.36 6.28 1.74 -1.22 -4.78 116.66 117.38 1qry n ARG 50 Ca 0.18 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.81 1qry n ARG 50 Cb 0.81 -1.53 -0.13 0.00 -1.02 0.00 0.00 32.46 30.59 1qry n ARG 50 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1qry n LEU 51 N 0.00 0.41 -2.24 0.55 7.99 -1.26 -4.62 117.00 117.83 1qry n LEU 51 Ca 0.00 0.32 -0.22 0.00 -0.01 0.00 0.00 56.01 56.10 1qry n LEU 51 Cb 0.00 -0.87 -0.00 0.00 -0.11 0.00 0.00 43.42 42.44 1qry n LEU 51 CO 0.00 -0.70 -0.24 0.35 -1.51 0.00 0.00 177.39 175.29 1qry n THR 52 N 6.87 0.31 0.00 -5.08 -2.24 -1.26 -4.24 114.28 108.63 1qry n THR 52 Ca 0.60 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1qry n THR 52 Cb 0.01 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1qry n THR 52 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1qry n PRO 53 N 0.71 0.00 -0.30 -0.78 -0.04 -1.26 0.83 135.00 134.16 1qry n PRO 53 Ca 0.06 0.12 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 1qry n PRO 53 Cb 0.21 -0.79 0.03 0.00 -0.04 0.00 0.00 33.50 32.91 1qry n PRO 53 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1qry n THR 54 N -0.41 -0.41 -0.30 0.52 -1.04 -1.26 0.40 114.28 111.78 1qry n THR 54 Ca 0.00 1.80 0.09 0.00 -2.04 0.00 0.00 64.05 63.90 1qry n THR 54 Cb 0.00 -2.37 0.26 0.00 -1.82 0.00 0.00 70.33 66.40 1qry n THR 54 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1qry h GLN 55 N 0.00 0.55 -0.20 -2.82 -0.00 -1.84 0.44 115.11 111.24 1qry h GLN 55 Ca 0.27 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.91 1qry h GLN 55 Cb 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 27.78 1qry h GLN 55 CO -0.76 0.37 0.01 0.28 0.00 0.00 0.00 178.83 178.73 1qry h VAL 56 N 0.57 0.87 0.08 2.39 2.07 1.40 0.17 116.25 123.79 1qry h VAL 56 Ca 0.50 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.99 1qry h VAL 56 Cb 0.80 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1qry h VAL 56 CO -0.41 0.01 -0.04 0.50 0.02 0.00 0.00 177.57 177.66 1qry h LYS 57 N 0.08 -0.10 -0.45 1.57 3.64 0.77 -1.84 116.57 120.24 1qry h LYS 57 Ca 0.10 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1qry h LYS 57 Cb 0.11 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1qry h LYS 57 CO -0.15 0.02 0.31 0.82 -2.27 0.00 0.00 179.45 178.17 1qry h ILE 58 N -0.19 0.89 0.02 2.00 1.08 0.06 -1.51 117.51 119.86 1qry h ILE 58 Ca -0.01 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1qry h ILE 58 Cb 0.16 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1qry h ILE 58 CO 0.02 0.04 -0.01 -0.25 -0.69 0.00 0.00 178.15 177.26 1qry h TRP 59 N 0.24 -0.02 -0.62 1.37 7.01 0.10 -3.14 115.95 120.90 1qry h TRP 59 Ca 0.21 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.27 1qry h TRP 59 Cb 0.51 0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 27.49 1qry h TRP 59 CO -0.00 0.21 -0.45 0.74 -2.79 0.00 0.00 178.44 176.15 1qry h PHE 60 N -0.25 -1.43 -0.77 2.65 0.04 -0.54 0.75 116.94 117.39 1qry h PHE 60 Ca -0.00 0.09 0.25 0.00 2.80 0.00 0.00 57.97 61.11 1qry h PHE 60 Cb 0.24 0.70 -0.14 0.00 2.20 0.00 0.00 35.95 38.95 1qry h PHE 60 CO 0.00 -0.32 0.16 0.94 -0.60 0.00 0.00 178.31 178.49 1qry n GLN 61 N -4.76 -0.06 -0.05 1.51 7.27 -1.17 0.21 117.38 120.33 1qry n GLN 61 Ca 0.00 1.12 -0.08 0.00 0.07 0.00 0.00 57.00 58.11 1qry n GLN 61 Cb 0.23 -1.85 -0.02 0.00 2.41 0.00 0.00 30.24 31.00 1qry n GLN 61 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 1qry h ASN 62 N 0.00 -0.20 0.15 1.69 -0.73 0.50 -2.85 115.58 114.14 1qry h ASN 62 Ca 0.53 0.07 -0.28 0.00 1.87 0.00 0.00 56.30 58.49 1qry h ASN 62 Cb 1.23 0.14 0.01 0.00 0.27 0.00 0.00 38.32 39.96 1qry h ASN 62 CO -0.68 -0.07 -1.36 0.45 -0.37 0.00 0.00 177.43 175.40 1qry h HIS 63 N 0.00 0.57 -0.75 0.67 3.86 0.26 -3.32 115.15 116.45 1qry h HIS 63 Ca 0.11 -0.42 0.22 0.00 -1.16 0.00 0.00 60.37 59.12 1qry h HIS 63 Cb 0.16 -0.02 -0.14 0.00 1.06 0.00 0.00 27.41 28.47 1qry h HIS 63 CO -0.23 1.53 0.07 -2.13 0.86 0.00 0.00 177.93 178.03 1qry n ARG 64 N -3.88 -0.06 -0.05 2.45 0.00 0.58 0.27 116.66 115.96 1qry n ARG 64 Ca -0.22 1.11 -0.14 0.00 -0.00 0.00 0.00 57.85 58.60 1qry n ARG 64 Cb 0.94 -1.79 -0.07 0.00 0.00 0.00 0.00 32.46 31.54 1qry n ARG 64 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1qry h TYR 65 N 0.00 0.47 0.09 -0.14 5.03 -1.63 -3.31 116.97 117.49 1qry h TYR 65 Ca 0.48 -0.16 -0.16 0.00 2.58 0.00 0.00 58.73 61.47 1qry h TYR 65 Cb 1.04 -0.09 0.02 0.00 1.55 0.00 0.00 36.73 39.24 1qry h TYR 65 CO -0.33 0.82 -0.68 0.87 -1.32 0.00 0.00 178.16 177.53 1qry h LYS 66 N -0.01 0.30 0.00 1.82 1.57 0.96 -3.13 116.57 118.08 1qry h LYS 66 Ca 0.01 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1qry h LYS 66 Cb 0.78 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1qry h LYS 66 CO 0.05 1.18 0.70 1.79 -0.57 0.00 0.00 179.45 182.59 1qry h THR 67 N -0.35 0.00 0.00 -0.16 1.35 0.36 0.96 112.91 115.07 1qry h THR 67 Ca -0.11 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.64 1qry h THR 67 Cb 1.48 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1qry h THR 67 CO 0.13 0.00 -0.70 0.11 -0.25 0.00 0.00 175.52 174.81 1qry h LYS 68 N 0.00 0.00 -0.10 4.72 1.57 -1.62 -3.34 116.57 117.80 1qry h LYS 68 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1qry h LYS 68 Cb 1.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.70 1qry h LYS 68 CO 0.00 0.74 0.08 0.00 -0.57 0.00 0.00 179.45 179.70 1qry h ARG 69 N -1.00 0.00 0.00 3.15 -0.00 0.81 0.11 114.38 117.45 1qry h ARG 69 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.31 1qry h ARG 69 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.94 1qry h ARG 69 CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 179.97 179.87 1qry h ALA 70 N 1.93 1.00 -0.05 0.04 0.00 -1.30 -1.94 119.26 118.93 1qry h ALA 70 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1qry h ALA 70 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qry h ALA 70 CO -0.00 0.00 -0.56 1.96 0.00 0.00 0.00 179.25 180.65 1qry h GLN 71 N 0.00 0.47 -0.64 0.00 4.20 -0.93 -3.16 115.11 115.06 1qry h GLN 71 Ca 0.00 -0.44 0.09 0.00 0.06 0.00 0.00 58.65 58.36 1qry h GLN 71 Cb 0.04 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1qry h GLN 71 CO 0.00 1.08 0.42 -0.97 -0.67 0.00 0.00 178.83 178.69 1qry h ASN 72 N 0.02 0.47 -0.33 1.46 -0.73 -1.48 0.68 115.58 115.68 1qry h ASN 72 Ca -0.05 0.01 -0.14 0.00 1.87 0.00 0.00 56.30 57.99 1qry h ASN 72 Cb 1.23 -0.09 -0.08 0.00 0.27 0.00 0.00 38.32 39.65 1qry h ASN 72 CO 0.11 0.29 0.17 -0.62 -0.37 0.00 0.00 177.43 177.01 1qry n GLU 73 N -4.48 1.75 -4.26 6.67 1.02 -1.20 -4.83 120.64 115.31 1qry n GLU 73 Ca 0.10 -1.13 -0.18 0.00 -0.02 0.00 0.00 57.16 55.93 1qry n GLU 73 Cb 0.32 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 30.12 1qry n GLU 73 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1qry s LYS 74 N -1.35 1.66 0.00 3.49 2.47 0.24 -4.95 119.74 121.30 1qry s LYS 74 Ca 0.21 -1.93 0.00 0.00 -1.56 0.00 0.00 55.97 52.68 1qry s LYS 74 Cb 0.17 0.32 0.00 0.00 -1.46 0.00 0.00 37.83 36.86 1qry s LYS 74 CO 0.05 -0.61 0.00 0.41 0.16 0.00 0.00 175.35 175.36 1qry n GLY 75 N -0.56 3.55 0.18 5.54 0.00 -1.26 -4.89 105.19 107.75 1qry n GLY 75 Ca 0.06 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 1qry n GLY 75 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qry h TYR 76 N 0.00 0.81 -0.84 1.61 0.05 -1.95 -3.47 116.97 113.18 1qry h TYR 76 Ca 0.00 -0.39 -0.14 0.00 0.05 0.00 0.00 58.73 58.24 1qry h TYR 76 Cb 0.00 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1qry h TYR 76 CO 0.00 1.20 -0.17 -1.91 -1.05 0.00 0.00 178.16 176.23 1qry n GLU 77 N -4.11 -0.55 0.00 4.88 2.13 -1.26 -4.89 120.64 116.84 1qry n GLU 77 Ca -0.09 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1qry n GLU 77 Cb 0.70 -4.33 0.00 0.00 0.27 0.00 0.00 31.44 28.08 1qry n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qry n GLY 78 N -1.30 -0.39 2.32 8.31 0.00 -1.26 -5.10 105.19 107.76 1qry n GLY 78 Ca -0.08 0.60 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 1qry n GLY 78 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qry n HIS 79 N 0.00 -0.10 0.00 1.61 -0.00 -1.26 -5.20 115.22 110.28 1qry n HIS 79 Ca 0.00 -3.55 0.00 0.00 0.46 0.00 0.00 57.72 54.63 1qry n HIS 79 Cb 0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 29.73 1qry n HIS 79 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50