#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a57 s LYS 14 N 0.00 1.36 -0.40 3.23 1.02 -1.26 -4.43 119.74 119.26 2a57 s LYS 14 Ca 0.00 -0.88 0.06 0.00 0.02 0.00 0.00 55.97 55.17 2a57 s LYS 14 Cb 0.00 -1.44 0.21 0.00 -0.52 0.00 0.00 37.83 36.08 2a57 s LYS 14 CO 0.00 0.37 0.45 0.41 -0.92 0.00 0.00 175.35 175.66 2a57 n GLY 15 N 1.97 2.38 0.24 -3.33 0.00 0.91 -4.96 105.19 102.40 2a57 n GLY 15 Ca -0.17 -1.36 -0.00 0.00 0.00 0.00 0.00 46.02 44.48 2a57 n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a57 h PRO 16 N 4.81 0.35 -0.21 1.61 0.11 -1.74 -2.75 132.00 134.17 2a57 h PRO 16 Ca 0.16 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2a57 h PRO 16 Cb 0.90 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2a57 h PRO 16 CO 0.40 0.54 0.00 0.39 -0.21 0.00 0.00 178.00 179.12 2a57 n GLU 17 N -4.18 1.59 -2.96 1.05 1.02 -1.26 -4.39 120.64 111.51 2a57 n GLU 17 Ca -0.00 -0.91 -0.40 0.00 -0.02 0.00 0.00 57.16 55.83 2a57 n GLU 17 Cb 0.34 -1.28 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 2a57 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2a57 s LEU 18 N -1.24 4.58 -0.22 -4.62 1.43 -1.04 -5.05 118.68 112.51 2a57 s LEU 18 Ca 0.24 1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 54.94 2a57 s LEU 18 Cb 0.12 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 2a57 s LEU 18 CO 0.18 0.17 -0.03 -0.13 0.23 0.00 0.00 176.35 176.77 2a57 s ARG 19 N -0.96 3.39 -0.05 1.70 0.52 -1.26 -4.73 118.95 117.55 2a57 s ARG 19 Ca 0.37 -0.62 0.04 0.00 -0.52 0.00 0.00 55.73 55.00 2a57 s ARG 19 Cb -0.23 -3.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.18 2a57 s ARG 19 CO 0.26 -0.20 -0.17 0.42 0.02 0.00 0.00 175.30 175.63 2a57 s ILE 20 N 1.49 2.80 -0.07 1.52 -1.09 -0.12 -0.00 121.20 125.72 2a57 s ILE 20 Ca 0.06 -0.81 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 2a57 s ILE 20 Cb -0.14 -2.08 -0.03 0.00 -1.58 0.00 0.00 42.46 38.63 2a57 s ILE 20 CO -0.03 0.58 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.98 2a57 s LEU 21 N -0.54 3.16 -0.18 2.97 2.96 -0.46 -0.95 118.68 125.64 2a57 s LEU 21 Ca 0.07 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2a57 s LEU 21 Cb -0.11 -1.69 0.05 0.00 0.50 0.00 0.00 46.19 44.93 2a57 s LEU 21 CO 0.01 0.35 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.75 2a57 s ILE 22 N -0.72 0.88 -0.12 6.68 1.01 -0.10 -0.49 121.20 128.34 2a57 s ILE 22 Ca 0.11 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 2a57 s ILE 22 Cb -0.11 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 2a57 s ILE 22 CO 0.02 -0.04 -0.07 -0.69 0.00 0.00 0.00 174.94 174.16 2a57 s VAL 23 N 1.71 3.66 0.03 2.92 1.01 -0.69 -1.19 120.40 127.86 2a57 s VAL 23 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2a57 s VAL 23 Cb -0.16 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2a57 s VAL 23 CO -0.07 0.54 -0.05 -1.38 0.00 0.00 0.00 175.10 174.13 2a57 s HIS 24 N -0.08 0.47 0.81 5.22 -3.43 -1.07 -0.86 115.29 116.35 2a57 s HIS 24 Ca 0.01 -0.50 -0.08 0.00 -0.80 0.00 0.00 55.06 53.69 2a57 s HIS 24 Cb -0.13 -0.30 0.14 0.00 -1.43 0.00 0.00 32.58 30.86 2a57 s HIS 24 CO 0.03 -0.13 1.13 0.00 -2.00 0.00 0.00 174.74 173.76 2a57 s ALA 25 N -1.38 3.02 -1.07 -1.38 0.00 -0.46 -1.47 121.76 119.03 2a57 s ALA 25 Ca -0.12 -1.36 0.09 0.00 0.00 0.00 0.00 51.96 50.56 2a57 s ALA 25 Cb -0.10 -2.43 0.08 0.00 0.00 0.00 0.00 23.12 20.68 2a57 s ALA 25 CO -0.00 -1.81 0.80 0.54 0.00 0.00 0.00 175.76 175.29 2a57 n ARG 26 N -3.21 0.37 -2.45 0.00 1.74 0.40 -4.82 116.66 108.69 2a57 n ARG 26 Ca 0.14 -1.07 -0.35 0.00 -0.77 0.00 0.00 57.85 55.79 2a57 n ARG 26 Cb 0.60 -1.17 -0.03 0.00 -1.02 0.00 0.00 32.46 30.85 2a57 n ARG 26 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2a57 s TYR 27 N -0.74 3.00 -1.49 -1.55 1.51 -1.21 -3.32 117.35 113.54 2a57 s TYR 27 Ca 0.11 1.58 -0.09 0.00 -1.01 0.00 0.00 57.07 57.66 2a57 s TYR 27 Cb 0.07 -3.17 0.06 0.00 -0.11 0.00 0.00 41.96 38.82 2a57 s TYR 27 CO 0.11 -1.00 0.80 0.09 -1.11 0.00 0.00 175.55 174.43 2a57 n ASN 28 N -0.70 -3.00 0.03 2.29 4.13 -1.26 -4.64 115.26 112.11 2a57 n ASN 28 Ca 0.08 -0.86 0.22 0.00 1.68 0.00 0.00 54.58 55.70 2a57 n ASN 28 Cb 0.51 -3.60 0.72 0.00 -1.54 0.00 0.00 39.78 35.87 2a57 n ASN 28 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2a57 h LEU 29 N -1.90 0.00 -2.03 3.41 5.85 -1.91 -0.02 115.31 118.71 2a57 h LEU 29 Ca -0.60 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 2a57 h LEU 29 Cb 1.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 2a57 h LEU 29 CO 0.66 0.00 -0.06 -0.61 -0.34 0.00 0.00 178.44 178.08 2a57 h GLN 30 N 0.00 0.00 0.00 1.25 4.15 -1.91 -2.43 115.11 116.17 2a57 h GLN 30 Ca 0.25 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.30 2a57 h GLN 30 Cb 1.30 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.92 2a57 h GLN 30 CO -0.00 0.06 -2.37 0.00 -1.93 0.00 0.00 178.83 174.59 2a57 n ALA 31 N -2.18 1.50 0.30 3.38 0.00 -0.05 -4.55 120.51 118.92 2a57 n ALA 31 Ca -0.01 -1.28 -0.17 0.00 0.00 0.00 0.00 53.44 51.98 2a57 n ALA 31 Cb 0.22 -0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 2a57 n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2a57 h ILE 32 N 0.00 0.34 -0.33 0.00 1.08 -1.21 -3.17 117.51 114.22 2a57 h ILE 32 Ca -0.54 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 63.99 2a57 h ILE 32 Cb 2.18 0.34 -0.08 0.00 -3.07 0.00 0.00 36.82 36.19 2a57 h ILE 32 CO 0.01 0.00 -0.41 -0.33 -0.69 0.00 0.00 178.15 176.73 2a57 h GLU 33 N -0.80 -0.35 -0.90 2.37 5.08 -1.68 -0.26 114.58 118.03 2a57 h GLU 33 Ca -0.06 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.47 2a57 h GLU 33 Cb 0.65 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 2a57 h GLU 33 CO 0.07 -0.23 0.58 -1.35 -1.00 0.00 0.00 179.01 177.08 2a57 h PRO 34 N -0.36 0.65 0.08 2.33 0.11 -1.80 -0.77 132.00 132.24 2a57 h PRO 34 Ca 0.12 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 2a57 h PRO 34 Cb 0.59 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2a57 h PRO 34 CO -0.52 0.43 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.59 2a57 h LEU 35 N 0.67 -0.09 0.03 2.35 3.38 -1.07 -0.90 115.31 119.68 2a57 h LEU 35 Ca 0.46 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2a57 h LEU 35 Cb 0.78 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2a57 h LEU 35 CO -0.22 0.13 -0.13 0.58 0.09 0.00 0.00 178.44 178.90 2a57 h VAL 36 N -0.31 0.69 -0.01 1.22 2.07 -0.53 -1.36 116.25 118.01 2a57 h VAL 36 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2a57 h VAL 36 Cb 0.27 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 2a57 h VAL 36 CO 0.02 0.00 -0.52 0.11 0.02 0.00 0.00 177.57 177.19 2a57 h LYS 37 N -0.23 -0.63 -0.92 1.57 6.56 -1.11 0.28 116.57 122.09 2a57 h LYS 37 Ca 0.04 0.04 0.19 0.00 -1.06 0.00 0.00 60.65 59.86 2a57 h LYS 37 Cb 0.28 0.14 -0.11 0.00 -0.57 0.00 0.00 32.23 31.97 2a57 h LYS 37 CO -0.11 -0.42 0.49 0.78 -2.06 0.00 0.00 179.45 178.13 2a57 h GLY 38 N -0.65 1.60 0.90 3.86 0.00 -0.99 0.32 103.07 108.11 2a57 h GLY 38 Ca 0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2a57 h GLY 38 CO -0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 176.54 176.02 2a57 h ALA 39 N 1.65 -0.07 0.56 3.60 0.00 -0.10 -0.72 119.26 124.18 2a57 h ALA 39 Ca 0.55 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2a57 h ALA 39 Cb 0.91 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2a57 h ALA 39 CO -0.43 -0.49 -0.27 0.28 0.00 0.00 0.00 179.25 178.34 2a57 h VAL 40 N -0.16 0.39 -0.48 0.00 2.07 0.43 -2.15 116.25 116.34 2a57 h VAL 40 Ca -0.01 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.37 2a57 h VAL 40 Cb 0.14 0.48 -0.10 0.00 -1.52 0.00 0.00 31.29 30.29 2a57 h VAL 40 CO 0.01 0.03 -0.22 -0.33 0.02 0.00 0.00 177.57 177.08 2a57 h GLU 41 N -0.92 -0.12 -0.51 1.57 5.08 -0.44 -1.05 114.58 118.19 2a57 h GLU 41 Ca -0.08 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2a57 h GLU 41 Cb 0.63 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2a57 h GLU 41 CO 0.13 -0.08 0.27 1.15 -1.00 0.00 0.00 179.01 179.48 2a57 h THR 42 N -0.12 0.97 -0.31 1.13 2.02 -1.11 0.18 112.91 115.68 2a57 h THR 42 Ca 0.22 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.24 2a57 h THR 42 Cb 0.47 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2a57 h THR 42 CO -0.55 0.10 0.16 0.24 0.37 0.00 0.00 175.52 175.83 2a57 h MET 43 N 0.53 0.32 0.00 6.66 2.86 -0.56 0.35 114.93 125.09 2a57 h MET 43 Ca 0.22 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2a57 h MET 43 Cb 0.11 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2a57 h MET 43 CO -0.15 0.21 0.00 -0.89 1.06 0.00 0.00 176.91 177.14 2a57 n ILE 44 N -4.95 0.00 -0.34 -1.22 5.41 -0.51 -0.98 119.36 116.76 2a57 n ILE 44 Ca -0.00 0.82 0.27 0.00 1.00 0.00 0.00 62.75 64.84 2a57 n ILE 44 Cb 0.07 -1.60 0.52 0.00 -0.71 0.00 0.00 39.64 37.92 2a57 n ILE 44 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2a57 h GLU 45 N 0.00 0.23 0.00 0.38 5.08 -0.74 -1.39 114.58 118.14 2a57 h GLU 45 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2a57 h GLU 45 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2a57 h GLU 45 CO 0.00 0.15 -1.72 1.63 -1.00 0.00 0.00 179.01 178.07 2a57 n LYS 46 N -5.03 0.63 -0.01 2.33 5.02 0.11 -4.68 118.16 116.53 2a57 n LYS 46 Ca 0.33 -0.12 0.01 0.00 -2.02 0.00 0.00 58.31 56.52 2a57 n LYS 46 Cb 1.09 -1.36 0.01 0.00 -0.02 0.00 0.00 35.03 34.76 2a57 n LYS 46 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2a57 n HIS 47 N -2.09 0.02 -3.18 2.13 8.25 -0.15 -4.81 115.22 115.39 2a57 n HIS 47 Ca -0.05 -0.11 -0.15 0.00 -0.26 0.00 0.00 57.72 57.15 2a57 n HIS 47 Cb 0.47 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.64 2a57 n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2a57 n ASP 48 N 0.04 -2.87 -4.84 0.41 10.43 -0.54 -0.06 116.55 119.13 2a57 n ASP 48 Ca 0.02 -0.47 -0.38 0.00 2.57 0.00 0.00 54.79 56.53 2a57 n ASP 48 Cb 0.11 -4.10 -0.06 0.00 1.84 0.00 0.00 41.12 38.91 2a57 n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2a57 s VAL 49 N -3.27 4.98 -0.15 2.53 1.01 -1.08 -3.02 120.40 121.41 2a57 s VAL 49 Ca 0.11 0.87 -0.25 0.00 0.00 0.00 0.00 61.98 62.71 2a57 s VAL 49 Cb -0.05 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2a57 s VAL 49 CO 0.57 0.54 0.82 -0.54 0.00 0.00 0.00 175.10 176.49 2a57 s LYS 50 N -1.19 4.32 0.40 2.72 1.02 -1.26 -4.41 119.74 121.35 2a57 s LYS 50 Ca 0.26 1.02 0.22 0.00 0.02 0.00 0.00 55.97 57.49 2a57 s LYS 50 Cb -0.17 -3.55 1.23 0.00 -0.52 0.00 0.00 37.83 34.82 2a57 s LYS 50 CO 0.15 -0.27 1.68 1.25 -0.92 0.00 0.00 175.35 177.24 2a57 h LEU 51 N 8.07 0.38 -1.60 3.17 6.46 -1.96 1.27 115.31 131.10 2a57 h LEU 51 Ca -0.31 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 2a57 h LEU 51 Cb 1.14 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 2a57 h LEU 51 CO 0.82 -0.09 0.00 -0.33 -0.62 0.00 0.00 178.44 178.22 2a57 h GLU 52 N 0.25 0.00 -0.70 1.25 3.07 -2.00 -2.76 114.58 113.69 2a57 h GLU 52 Ca 0.73 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.59 2a57 h GLU 52 Cb 1.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.90 2a57 h GLU 52 CO -0.44 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.26 2a57 n ASN 53 N -3.08 3.91 -3.91 1.42 5.03 0.44 -4.76 115.26 114.30 2a57 n ASN 53 Ca 0.00 -2.53 -0.30 0.00 0.87 0.00 0.00 54.58 52.62 2a57 n ASN 53 Cb 0.28 -0.59 -0.15 0.00 -1.02 0.00 0.00 39.78 38.30 2a57 n ASN 53 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2a57 s ILE 54 N -2.05 1.58 0.12 2.41 1.01 -1.04 -0.95 121.20 122.27 2a57 s ILE 54 Ca 0.35 -1.61 -0.19 0.00 0.00 0.00 0.00 60.65 59.20 2a57 s ILE 54 Cb 0.26 -2.03 -0.07 0.00 0.01 0.00 0.00 42.46 40.63 2a57 s ILE 54 CO 0.12 -0.41 0.61 -1.81 0.00 0.00 0.00 174.94 173.45 2a57 s ASP 55 N 1.31 7.06 -0.32 3.58 -0.00 -0.13 -4.99 116.67 123.18 2a57 s ASP 55 Ca 0.03 1.30 0.00 0.00 -0.00 0.00 0.00 52.55 53.89 2a57 s ASP 55 Cb -0.18 -2.37 0.10 0.00 -0.00 0.00 0.00 42.92 40.46 2a57 s ASP 55 CO -0.12 0.21 0.09 -0.63 -0.00 0.00 0.00 175.17 174.72 2a57 s ILE 56 N -1.23 1.21 0.43 0.77 1.01 -1.26 -0.92 121.20 121.21 2a57 s ILE 56 Ca 0.33 -1.66 0.08 0.00 0.00 0.00 0.00 60.65 59.40 2a57 s ILE 56 Cb -0.19 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.38 2a57 s ILE 56 CO 0.20 -0.67 0.52 -1.61 0.00 0.00 0.00 174.94 173.39 2a57 s GLU 57 N 1.41 2.72 0.07 2.79 2.02 -0.33 -5.00 118.70 122.37 2a57 s GLU 57 Ca 0.10 -1.35 -0.11 0.00 0.02 0.00 0.00 54.97 53.64 2a57 s GLU 57 Cb -0.18 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.42 2a57 s GLU 57 CO -0.20 -0.28 0.23 -1.54 0.02 0.00 0.00 175.26 173.49 2a57 s SER 58 N -4.30 0.01 0.23 -0.19 1.04 -1.26 -2.60 113.70 106.62 2a57 s SER 58 Ca 0.53 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.55 2a57 s SER 58 Cb -0.08 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 2a57 s SER 58 CO 0.32 -0.66 0.05 0.68 0.98 0.00 0.00 173.24 174.61 2a57 s VAL 59 N -3.15 0.71 0.00 5.02 -7.23 -0.54 -4.92 120.40 110.29 2a57 s VAL 59 Ca -0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2a57 s VAL 59 Cb 0.01 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2a57 s VAL 59 CO -0.07 -0.21 0.84 -2.65 -0.31 0.00 0.00 175.10 172.70 2a57 n PRO 60 N -0.39 0.00 -4.57 4.82 -0.02 -1.26 -2.04 135.00 131.53 2a57 n PRO 60 Ca -0.03 0.47 -0.27 0.00 -2.02 0.00 0.00 63.50 61.65 2a57 n PRO 60 Cb 0.65 -1.34 -0.09 0.00 -0.02 0.00 0.00 33.50 32.70 2a57 n PRO 60 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2a57 s GLY 61 N -0.67 2.59 0.45 -1.23 0.00 -1.26 -0.45 107.32 106.75 2a57 s GLY 61 Ca 0.00 -1.30 0.19 0.00 0.00 0.00 0.00 44.72 43.61 2a57 s GLY 61 CO 0.00 -1.95 1.90 1.76 0.00 0.00 0.00 173.10 174.81 2a57 h SER 62 N 1.74 0.31 -0.70 1.64 0.02 -1.93 -0.34 113.55 114.31 2a57 h SER 62 Ca -0.40 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 60.68 2a57 h SER 62 Cb 1.27 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 2a57 h SER 62 CO 0.67 0.14 0.46 -0.25 -1.14 0.00 0.00 176.83 176.71 2a57 h TRP 63 N 0.32 0.61 0.00 3.45 2.91 -1.96 -1.39 115.95 119.90 2a57 h TRP 63 Ca 0.40 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.44 2a57 h TRP 63 Cb 1.09 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.54 2a57 h TRP 63 CO -0.00 0.29 -0.05 0.39 -1.03 0.00 0.00 178.44 178.04 2a57 n GLU 64 N -4.49 0.09 -0.02 2.65 4.71 -0.14 -4.22 120.64 119.23 2a57 n GLU 64 Ca 0.12 0.07 -0.11 0.00 -0.01 0.00 0.00 57.16 57.23 2a57 n GLU 64 Cb 0.35 -1.60 -0.04 0.00 -1.01 0.00 0.00 31.44 29.13 2a57 n GLU 64 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2a57 h LEU 65 N 0.00 -1.09 -0.62 -4.62 3.38 -1.27 0.31 115.31 111.41 2a57 h LEU 65 Ca 0.00 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.17 2a57 h LEU 65 Cb 0.58 0.46 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2a57 h LEU 65 CO 0.00 -0.37 0.36 -0.65 0.09 0.00 0.00 178.44 177.87 2a57 h PRO 66 N -0.40 0.68 -0.62 1.13 0.11 -1.77 -1.14 132.00 129.99 2a57 h PRO 66 Ca 0.10 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 2a57 h PRO 66 Cb 0.56 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2a57 h PRO 66 CO -0.39 0.45 0.12 1.96 -0.21 0.00 0.00 178.00 179.92 2a57 h GLN 67 N 0.70 1.02 -0.30 1.05 4.20 -1.68 -0.54 115.11 119.55 2a57 h GLN 67 Ca 0.26 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2a57 h GLN 67 Cb 0.08 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2a57 h GLN 67 CO -0.13 0.94 0.10 0.78 -0.67 0.00 0.00 178.83 179.85 2a57 h GLY 68 N 0.93 0.50 0.97 3.46 0.00 0.02 -2.14 103.07 106.82 2a57 h GLY 68 Ca 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2a57 h GLY 68 CO 0.01 0.27 0.14 -2.22 0.00 0.00 0.00 176.54 174.74 2a57 h ILE 69 N 0.33 1.09 -0.22 2.60 2.04 -1.08 -1.61 117.51 120.66 2a57 h ILE 69 Ca 0.10 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.81 2a57 h ILE 69 Cb 0.23 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 2a57 h ILE 69 CO -0.00 0.08 -0.20 -0.09 0.00 0.00 0.00 178.15 177.94 2a57 h ARG 70 N 0.28 -0.20 0.21 2.37 2.43 -0.95 0.28 114.38 118.80 2a57 h ARG 70 Ca 0.08 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2a57 h ARG 70 Cb 0.01 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 2a57 h ARG 70 CO -0.02 -0.14 -0.46 0.00 -1.51 0.00 0.00 179.97 177.85 2a57 h ALA 71 N 0.87 -0.88 -0.70 2.80 0.00 -1.17 -2.31 119.26 117.88 2a57 h ALA 71 Ca 0.13 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2a57 h ALA 71 Cb 0.41 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2a57 h ALA 71 CO -0.35 -1.05 0.42 0.77 0.00 0.00 0.00 179.25 179.04 2a57 h SER 72 N -0.75 0.65 -0.39 0.00 0.02 -0.88 -1.27 113.55 110.93 2a57 h SER 72 Ca -0.00 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 2a57 h SER 72 Cb 0.74 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2a57 h SER 72 CO -0.21 0.43 0.33 0.40 -1.14 0.00 0.00 176.83 176.65 2a57 h ILE 73 N 0.78 0.58 0.18 3.27 1.08 -0.11 -2.00 117.51 121.29 2a57 h ILE 73 Ca 0.30 0.00 -0.28 0.00 -0.39 0.00 0.00 64.86 64.49 2a57 h ILE 73 Cb 0.12 0.75 0.02 0.00 -3.07 0.00 0.00 36.82 34.64 2a57 h ILE 73 CO -0.15 0.00 -1.30 0.00 -0.69 0.00 0.00 178.15 176.01 2a57 h ALA 74 N 1.69 -0.01 0.84 1.87 0.00 -0.70 -3.39 119.26 119.57 2a57 h ALA 74 Ca 0.18 -0.91 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 2a57 h ALA 74 Cb 0.85 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2a57 h ALA 74 CO -0.00 0.68 -0.43 0.00 0.00 0.00 0.00 179.25 179.50 2a57 h ARG 75 N -0.13 -1.12 0.00 0.00 2.47 -0.87 -3.47 114.38 111.27 2a57 h ARG 75 Ca -0.25 0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2a57 h ARG 75 Cb 1.90 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 30.47 2a57 h ARG 75 CO 0.17 -0.75 0.00 0.09 0.56 0.00 0.00 179.97 180.04 2a57 n ASN 76 N -5.20 1.43 -4.04 7.04 3.02 -0.96 -5.13 115.26 111.43 2a57 n ASN 76 Ca -0.14 -0.48 -0.26 0.00 -0.03 0.00 0.00 54.58 53.66 2a57 n ASN 76 Cb 0.46 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.47 2a57 n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a57 s THR 77 N 0.45 1.27 0.19 3.41 2.01 -1.26 -4.71 115.64 117.01 2a57 s THR 77 Ca 0.00 -0.54 0.06 0.00 0.31 0.00 0.00 61.69 61.52 2a57 s THR 77 Cb 0.00 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 2a57 s THR 77 CO 0.00 0.39 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.89 2a57 s TYR 78 N 0.79 1.55 -0.13 4.92 2.02 -1.26 -4.91 117.35 120.32 2a57 s TYR 78 Ca -0.12 -0.66 0.21 0.00 -0.37 0.00 0.00 57.07 56.13 2a57 s TYR 78 Cb -0.16 -0.75 -0.18 0.00 -0.40 0.00 0.00 41.96 40.47 2a57 s TYR 78 CO 0.02 0.23 0.69 -0.25 -1.57 0.00 0.00 175.55 174.68 2a57 n ASP 79 N -0.32 0.44 -3.52 2.29 9.92 1.00 -4.97 116.55 121.38 2a57 n ASP 79 Ca -0.09 0.18 -0.13 0.00 -0.53 0.00 0.00 54.79 54.22 2a57 n ASP 79 Cb 0.61 1.06 -0.04 0.00 -0.64 0.00 0.00 41.12 42.11 2a57 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a57 s ALA 80 N -3.27 -1.81 0.03 2.24 0.00 -1.22 -4.24 121.76 113.49 2a57 s ALA 80 Ca -0.05 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.17 2a57 s ALA 80 Cb 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 2a57 s ALA 80 CO 0.85 -0.47 -0.07 0.54 0.00 0.00 0.00 175.76 176.61 2a57 s VAL 81 N -1.91 0.48 -0.14 0.00 0.11 -0.54 -1.36 120.40 117.04 2a57 s VAL 81 Ca -0.03 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.15 2a57 s VAL 81 Cb -0.00 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 2a57 s VAL 81 CO 0.00 -0.29 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.64 2a57 s ILE 82 N -1.14 2.01 -0.25 7.04 1.01 0.36 -0.53 121.20 129.70 2a57 s ILE 82 Ca -0.08 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 2a57 s ILE 82 Cb -0.08 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 2a57 s ILE 82 CO 0.00 0.54 0.24 -0.83 0.00 0.00 0.00 174.94 174.89 2a57 s GLY 83 N 0.91 1.97 -0.06 6.18 0.00 -0.54 -1.71 107.32 114.07 2a57 s GLY 83 Ca -0.05 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.82 2a57 s GLY 83 CO -0.04 0.62 -0.17 -0.42 0.00 0.00 0.00 173.10 173.09 2a57 s ILE 84 N 1.47 1.49 -0.02 0.90 1.01 -0.04 0.25 121.20 126.25 2a57 s ILE 84 Ca 0.10 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 2a57 s ILE 84 Cb -0.15 -1.30 0.11 0.00 0.01 0.00 0.00 42.46 41.13 2a57 s ILE 84 CO 0.08 0.43 1.03 -0.83 0.00 0.00 0.00 174.94 175.65 2a57 s GLY 85 N 0.28 -0.37 -0.05 6.18 0.00 -0.55 -1.35 107.32 111.46 2a57 s GLY 85 Ca -0.10 0.96 -0.01 0.00 0.00 0.00 0.00 44.72 45.57 2a57 s GLY 85 CO 0.04 0.30 0.01 -1.34 0.00 0.00 0.00 173.10 172.11 2a57 s VAL 86 N -2.89 0.21 -0.17 1.40 -7.23 -1.26 -0.71 120.40 109.76 2a57 s VAL 86 Ca 0.09 0.17 -0.06 0.00 -1.81 0.00 0.00 61.98 60.37 2a57 s VAL 86 Cb -0.00 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 2a57 s VAL 86 CO -0.05 0.21 0.03 -0.76 -0.31 0.00 0.00 175.10 174.22 2a57 s LEU 87 N 1.72 3.67 -0.11 1.32 1.43 0.12 -4.79 118.68 122.02 2a57 s LEU 87 Ca 0.00 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2a57 s LEU 87 Cb -0.13 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2a57 s LEU 87 CO -0.03 0.19 -0.16 -0.63 0.23 0.00 0.00 176.35 175.95 2a57 s ILE 88 N 0.25 2.83 0.19 -0.59 1.01 -1.26 -1.26 121.20 122.37 2a57 s ILE 88 Ca 0.02 -0.75 -0.33 0.00 0.00 0.00 0.00 60.65 59.59 2a57 s ILE 88 Cb -0.13 -2.16 -0.13 0.00 0.01 0.00 0.00 42.46 40.05 2a57 s ILE 88 CO 0.01 0.54 1.60 1.17 0.00 0.00 0.00 174.94 178.26 2a57 n LYS 89 N 3.34 2.34 0.00 2.79 0.00 -0.37 -4.87 118.16 121.39 2a57 n LYS 89 Ca -0.18 0.84 0.00 0.00 0.00 0.00 0.00 58.31 58.97 2a57 n LYS 89 Cb 0.53 -2.62 0.00 0.00 0.00 0.00 0.00 35.03 32.93 2a57 n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a57 n GLY 90 N 3.37 4.47 0.17 3.14 0.00 -1.26 -4.84 105.19 110.24 2a57 n GLY 90 Ca 0.16 -1.86 0.09 0.00 0.00 0.00 0.00 46.02 44.41 2a57 n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2a57 h SER 91 N 0.00 0.00 -4.66 1.61 0.02 -2.02 -3.47 113.55 105.02 2a57 h SER 91 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 2a57 h SER 91 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2a57 h SER 91 CO 0.00 0.15 -0.07 0.35 -1.14 0.00 0.00 176.83 176.12 2a57 n THR 92 N -3.00 0.00 1.58 -2.27 -2.24 -1.26 -5.02 114.28 102.08 2a57 n THR 92 Ca 0.01 -0.77 0.14 0.00 -2.27 0.00 0.00 64.05 61.16 2a57 n THR 92 Cb 0.60 -0.56 0.62 0.00 -2.10 0.00 0.00 70.33 68.89 2a57 n THR 92 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2a57 n MET 93 N -1.22 1.37 -0.25 -0.78 0.00 -1.26 -4.28 117.12 110.70 2a57 n MET 93 Ca 0.03 -0.65 0.04 0.00 0.00 0.00 0.00 57.70 57.12 2a57 n MET 93 Cb 0.23 -1.49 0.15 0.00 0.00 0.00 0.00 33.22 32.11 2a57 n MET 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2a57 h HIS 94 N 1.58 -0.02 -0.27 2.03 -0.00 -1.96 -1.61 115.15 114.91 2a57 h HIS 94 Ca 0.00 0.05 0.06 0.00 -0.00 0.00 0.00 60.37 60.48 2a57 h HIS 94 Cb 0.38 0.12 -0.06 0.00 -0.00 0.00 0.00 27.41 27.85 2a57 h HIS 94 CO 0.00 -0.21 -0.12 0.35 -0.00 0.00 0.00 177.93 177.95 2a57 h PHE 95 N 0.12 -0.28 -0.31 5.26 3.57 -1.90 -0.76 116.94 122.64 2a57 h PHE 95 Ca 0.40 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.95 2a57 h PHE 95 Cb 0.69 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2a57 h PHE 95 CO -0.40 -0.18 0.16 0.93 -2.23 0.00 0.00 178.31 176.59 2a57 h GLU 96 N -0.07 0.33 -0.30 1.11 3.07 -1.61 -1.94 114.58 115.16 2a57 h GLU 96 Ca 0.14 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.86 2a57 h GLU 96 Cb 0.29 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2a57 h GLU 96 CO -0.32 0.22 -0.29 1.88 -1.40 0.00 0.00 179.01 179.09 2a57 h TYR 97 N 0.34 0.88 -0.10 4.33 0.05 -1.09 -2.10 116.97 119.27 2a57 h TYR 97 Ca 0.13 -0.26 -0.00 0.00 0.05 0.00 0.00 58.73 58.65 2a57 h TYR 97 Cb 0.03 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.58 2a57 h TYR 97 CO -0.09 1.01 0.06 0.82 -1.05 0.00 0.00 178.16 178.91 2a57 h ILE 98 N 0.49 1.06 -0.26 -2.88 1.08 -1.14 -1.98 117.51 113.89 2a57 h ILE 98 Ca 0.05 -0.17 0.06 0.00 -0.39 0.00 0.00 64.86 64.41 2a57 h ILE 98 Cb 0.86 1.00 -0.07 0.00 -3.07 0.00 0.00 36.82 35.54 2a57 h ILE 98 CO 0.07 0.06 -0.27 0.28 -0.69 0.00 0.00 178.15 177.60 2a57 h SER 99 N 0.09 -0.87 -0.22 1.72 0.02 -1.29 0.28 113.55 113.29 2a57 h SER 99 Ca 0.04 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2a57 h SER 99 Cb 0.04 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2a57 h SER 99 CO -0.01 -0.30 0.13 -0.08 -1.14 0.00 0.00 176.83 175.43 2a57 h GLU 100 N -0.27 0.30 -0.54 3.45 4.81 -1.34 -1.77 114.58 119.22 2a57 h GLU 100 Ca 0.14 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2a57 h GLU 100 Cb 0.49 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2a57 h GLU 100 CO -0.41 0.25 0.22 0.00 -0.73 0.00 0.00 179.01 178.34 2a57 h ALA 101 N 1.03 0.70 -0.33 2.92 0.00 -0.80 -1.82 119.26 120.97 2a57 h ALA 101 Ca 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2a57 h ALA 101 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2a57 h ALA 101 CO -0.01 0.30 0.06 0.28 0.00 0.00 0.00 179.25 179.88 2a57 h VAL 102 N 0.73 1.23 -0.77 0.00 2.07 -0.36 -0.03 116.25 119.12 2a57 h VAL 102 Ca 0.18 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 2a57 h VAL 102 Cb 0.19 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2a57 h VAL 102 CO -0.02 0.26 0.34 0.58 0.02 0.00 0.00 177.57 178.76 2a57 h VAL 103 N 0.37 1.25 -0.59 2.57 2.07 -1.24 -0.41 116.25 120.28 2a57 h VAL 103 Ca 0.10 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 2a57 h VAL 103 Cb 0.33 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2a57 h VAL 103 CO 0.00 0.31 0.01 0.45 0.02 0.00 0.00 177.57 178.37 2a57 h HIS 104 N 1.10 1.10 -0.17 1.57 3.86 -1.17 -2.72 115.15 118.72 2a57 h HIS 104 Ca 0.26 -0.18 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2a57 h HIS 104 Cb 0.17 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 2a57 h HIS 104 CO 0.01 0.97 0.08 0.78 0.86 0.00 0.00 177.93 180.64 2a57 h GLY 105 N 1.00 0.23 0.99 2.45 0.00 -0.14 -1.00 103.07 106.60 2a57 h GLY 105 Ca 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.45 2a57 h GLY 105 CO 0.03 0.05 0.29 1.41 0.00 0.00 0.00 176.54 178.32 2a57 h LEU 106 N 0.18 0.50 -0.92 3.11 3.38 -1.06 -0.39 115.31 120.11 2a57 h LEU 106 Ca 0.07 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2a57 h LEU 106 Cb 0.02 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 2a57 h LEU 106 CO -0.05 0.36 0.59 -0.03 0.09 0.00 0.00 178.44 179.40 2a57 h MET 107 N 0.59 1.10 0.09 1.13 4.05 -1.19 -1.59 114.93 119.11 2a57 h MET 107 Ca 0.16 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 2a57 h MET 107 Cb -0.06 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 30.49 2a57 h MET 107 CO -0.04 0.73 -0.04 -0.09 0.23 0.00 0.00 176.91 177.70 2a57 h ARG 108 N 1.13 -0.11 -0.89 0.39 2.43 -0.47 -1.51 114.38 115.35 2a57 h ARG 108 Ca 0.37 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.68 2a57 h ARG 108 Cb 0.04 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 2a57 h ARG 108 CO -0.13 0.13 0.57 0.28 -1.51 0.00 0.00 179.97 179.31 2a57 h VAL 109 N -0.35 0.89 -0.01 0.20 2.07 -0.80 0.22 116.25 118.47 2a57 h VAL 109 Ca -0.01 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2a57 h VAL 109 Cb 0.30 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2a57 h VAL 109 CO 0.02 0.14 -0.01 1.23 0.02 0.00 0.00 177.57 178.97 2a57 h GLY 110 N 0.76 0.03 1.91 2.17 0.00 -1.15 -2.18 103.07 104.62 2a57 h GLY 110 Ca 0.43 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.66 2a57 h GLY 110 CO -0.20 0.03 -0.30 1.41 0.00 0.00 0.00 176.54 177.49 2a57 h LEU 111 N -0.43 0.11 -0.03 3.11 3.38 -0.56 0.24 115.31 121.12 2a57 h LEU 111 Ca 0.00 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 2a57 h LEU 111 Cb 0.49 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.22 2a57 h LEU 111 CO 0.00 0.41 -0.43 0.44 0.09 0.00 0.00 178.44 178.95 2a57 h ASP 112 N 0.10 0.43 0.93 -0.43 3.32 -0.62 -3.33 116.42 116.82 2a57 h ASP 112 Ca 0.01 -0.72 -0.16 0.00 0.02 0.00 0.00 57.03 56.18 2a57 h ASP 112 Cb 0.58 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2a57 h ASP 112 CO 0.04 1.09 -0.74 0.77 -1.72 0.00 0.00 179.24 178.68 2a57 h SER 113 N -0.19 0.00 0.00 6.45 4.64 -1.29 -3.47 113.55 119.68 2a57 h SER 113 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2a57 h SER 113 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2a57 h SER 113 CO 0.09 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 2a57 n GLY 114 N 0.87 1.00 3.72 -0.77 0.00 0.06 -5.02 105.19 105.05 2a57 n GLY 114 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2a57 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a57 s VAL 115 N -3.25 5.28 0.24 1.61 1.01 -1.22 -5.03 120.40 119.04 2a57 s VAL 115 Ca 0.00 0.64 -0.31 0.00 0.00 0.00 0.00 61.98 62.30 2a57 s VAL 115 Cb 0.00 -3.68 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 2a57 s VAL 115 CO 0.00 0.36 1.67 -2.65 0.00 0.00 0.00 175.10 174.49 2a57 n PRO 116 N 3.68 2.73 -4.09 2.72 -0.02 -1.26 -4.51 135.00 134.25 2a57 n PRO 116 Ca -0.11 0.98 -0.32 0.00 -2.02 0.00 0.00 63.50 62.03 2a57 n PRO 116 Cb 0.52 -2.80 -0.16 0.00 -0.02 0.00 0.00 33.50 31.04 2a57 n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2a57 s VAL 117 N 0.74 1.99 -0.06 -1.45 1.01 -1.26 -1.47 120.40 119.89 2a57 s VAL 117 Ca 0.71 -1.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.44 2a57 s VAL 117 Cb -0.51 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2a57 s VAL 117 CO 0.38 0.38 0.54 -0.63 0.00 0.00 0.00 175.10 175.78 2a57 s ILE 118 N 1.28 5.06 -0.49 2.22 1.09 0.31 -4.98 121.20 125.69 2a57 s ILE 118 Ca 0.02 1.11 -0.25 0.00 -1.10 0.00 0.00 60.65 60.43 2a57 s ILE 118 Cb -0.15 -3.88 0.03 0.00 -1.06 0.00 0.00 42.46 37.40 2a57 s ILE 118 CO -0.11 0.36 0.94 -0.22 -0.10 0.00 0.00 174.94 175.81 2a57 s LEU 119 N 0.25 4.01 -0.41 2.97 2.96 -1.26 -1.47 118.68 125.74 2a57 s LEU 119 Ca 0.29 0.00 0.05 0.00 -0.22 0.00 0.00 54.13 54.25 2a57 s LEU 119 Cb -0.17 -3.11 0.44 0.00 0.50 0.00 0.00 46.19 43.86 2a57 s LEU 119 CO 0.14 -1.11 1.26 0.61 -1.32 0.00 0.00 176.35 175.93 2a57 n GLY 120 N 4.98 6.17 3.62 7.98 0.00 0.14 -4.96 105.19 123.12 2a57 n GLY 120 Ca 0.05 -2.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.04 2a57 n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a57 s LEU 121 N -3.62 3.87 -0.17 0.99 0.20 -1.24 -1.48 118.68 117.22 2a57 s LEU 121 Ca 0.51 0.05 -0.04 0.00 0.69 0.00 0.00 54.13 55.34 2a57 s LEU 121 Cb 0.41 -2.01 -0.02 0.00 -0.43 0.00 0.00 46.19 44.14 2a57 s LEU 121 CO -0.08 0.11 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.29 2a57 s LEU 122 N 0.77 3.17 -0.50 -0.68 1.43 0.11 -4.96 118.68 118.03 2a57 s LEU 122 Ca 0.05 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 2a57 s LEU 122 Cb -0.13 -1.78 0.13 0.00 0.03 0.00 0.00 46.19 44.44 2a57 s LEU 122 CO 0.02 0.12 0.23 0.42 0.23 0.00 0.00 176.35 177.38 2a57 s THR 123 N 0.62 2.53 0.35 5.49 -4.23 -1.26 0.10 115.64 119.25 2a57 s THR 123 Ca -0.02 -3.19 0.08 0.00 -1.18 0.00 0.00 61.69 57.37 2a57 s THR 123 Cb -0.14 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 2a57 s THR 123 CO 0.02 -0.78 0.14 0.68 -0.54 0.00 0.00 174.62 174.14 2a57 s VAL 124 N -0.14 2.86 -0.02 2.29 -7.23 -0.39 -5.00 120.40 112.76 2a57 s VAL 124 Ca 0.16 -1.72 0.12 0.00 -1.81 0.00 0.00 61.98 58.73 2a57 s VAL 124 Cb -0.25 -2.96 -0.14 0.00 0.56 0.00 0.00 36.38 33.60 2a57 s VAL 124 CO -0.01 -0.15 1.11 -0.07 -0.31 0.00 0.00 175.10 175.66 2a57 h LEU 125 N 1.55 0.00 -7.27 1.32 -0.00 -1.93 -0.97 115.31 108.01 2a57 h LEU 125 Ca -0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.40 2a57 h LEU 125 Cb 1.25 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.78 2a57 h LEU 125 CO 0.64 0.81 0.01 0.54 -0.00 0.00 0.00 178.44 180.44 2a57 s ASN 126 N -6.35 -0.34 0.32 -0.43 2.20 -1.26 -4.11 114.94 104.96 2a57 s ASN 126 Ca -0.00 -0.18 0.09 0.00 -0.94 0.00 0.00 52.86 51.83 2a57 s ASN 126 Cb 0.09 0.51 0.85 0.00 -2.00 0.00 0.00 41.25 40.70 2a57 s ASN 126 CO 0.80 -0.87 1.75 -0.08 -2.94 0.00 0.00 177.10 175.76 2a57 h GLU 127 N 2.32 0.61 -0.38 3.55 4.57 -1.97 -1.31 114.58 121.97 2a57 h GLU 127 Ca -0.34 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 57.86 2a57 h GLU 127 Cb 1.27 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.67 2a57 h GLU 127 CO 0.44 0.41 0.09 0.93 -1.18 0.00 0.00 179.01 179.69 2a57 h GLU 128 N 0.63 0.22 -0.62 1.92 3.07 -1.99 -0.39 114.58 117.42 2a57 h GLU 128 Ca 0.62 -0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.53 2a57 h GLU 128 Cb 1.13 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.96 2a57 h GLU 128 CO -0.43 0.14 0.41 1.96 -1.40 0.00 0.00 179.01 179.69 2a57 h GLN 129 N 0.22 0.59 0.32 2.33 4.20 -1.66 -0.55 115.11 120.56 2a57 h GLN 129 Ca 0.18 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 2a57 h GLN 129 Cb 0.20 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2a57 h GLN 129 CO -0.22 0.39 -0.15 0.00 -0.67 0.00 0.00 178.83 178.17 2a57 h ALA 130 N 1.66 -0.43 -0.96 3.87 0.00 -1.05 -2.61 119.26 119.75 2a57 h ALA 130 Ca 0.26 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.09 2a57 h ALA 130 Cb 0.27 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 2a57 h ALA 130 CO -0.08 -0.55 0.59 -0.07 0.00 0.00 0.00 179.25 179.15 2a57 h LEU 131 N -0.81 0.88 -0.93 0.00 3.38 -0.78 -0.38 115.31 116.66 2a57 h LEU 131 Ca -0.04 0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2a57 h LEU 131 Cb 0.52 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2a57 h LEU 131 CO 0.07 0.49 0.61 0.22 0.09 0.00 0.00 178.44 179.92 2a57 h TYR 132 N 0.97 1.16 -0.00 1.13 3.20 -1.09 -0.61 116.97 121.73 2a57 h TYR 132 Ca 0.46 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.36 2a57 h TYR 132 Cb 0.42 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2a57 h TYR 132 CO -0.02 0.70 -0.02 0.54 -1.64 0.00 0.00 178.16 177.72 2a57 n ARG 133 N -4.46 0.31 -0.29 1.82 1.74 -0.26 -2.53 116.66 112.99 2a57 n ARG 133 Ca 0.11 -0.02 0.10 0.00 -0.77 0.00 0.00 57.85 57.27 2a57 n ARG 133 Cb 0.05 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.25 2a57 n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a57 n ALA 134 N -1.33 2.41 -0.05 7.54 0.00 -0.31 -1.38 120.51 127.39 2a57 n ALA 134 Ca 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2a57 n ALA 134 Cb 0.28 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2a57 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a57 n GLY 135 N 1.45 1.03 3.91 0.00 0.00 -1.05 -4.54 105.19 105.98 2a57 n GLY 135 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2a57 n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a57 s LEU 136 N 0.00 2.60 -1.81 0.99 1.02 -0.76 -4.04 118.68 116.68 2a57 s LEU 136 Ca 0.00 0.62 -0.21 0.00 0.02 0.00 0.00 54.13 54.56 2a57 s LEU 136 Cb 0.00 -3.06 0.20 0.00 0.02 0.00 0.00 46.19 43.35 2a57 s LEU 136 CO 0.00 -1.99 0.63 0.59 0.02 0.00 0.00 176.35 175.60 2a57 n ASN 137 N -3.32 -2.14 0.00 2.29 5.03 -1.26 -1.06 115.26 114.79 2a57 n ASN 137 Ca 0.09 -1.17 0.00 0.00 0.87 0.00 0.00 54.58 54.37 2a57 n ASN 137 Cb 0.61 -1.99 0.00 0.00 -1.02 0.00 0.00 39.78 37.37 2a57 n ASN 137 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a57 n GLY 138 N -1.26 0.90 3.96 7.41 0.00 -1.26 -4.98 105.19 109.96 2a57 n GLY 138 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2a57 n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a57 s GLY 139 N -1.61 1.76 -0.15 -0.02 0.00 -0.23 -5.08 107.32 102.00 2a57 s GLY 139 Ca 0.00 -1.27 -0.16 0.00 0.00 0.00 0.00 44.72 43.29 2a57 s GLY 139 CO 0.00 -0.86 0.37 -1.58 0.00 0.00 0.00 173.10 171.03 2a57 s HIS 140 N -3.07 3.47 -0.24 1.90 5.65 -1.23 -4.19 115.29 117.57 2a57 s HIS 140 Ca 0.61 0.70 -0.29 0.00 0.25 0.00 0.00 55.06 56.33 2a57 s HIS 140 Cb -0.09 -2.44 -0.01 0.00 -1.18 0.00 0.00 32.58 28.86 2a57 s HIS 140 CO 0.43 0.18 1.36 1.21 -0.65 0.00 0.00 174.74 177.26 2a57 s ASN 141 N 0.60 6.69 0.37 9.88 3.84 -1.26 -3.64 114.94 131.42 2a57 s ASN 141 Ca 0.20 1.44 0.27 0.00 0.21 0.00 0.00 52.86 54.98 2a57 s ASN 141 Cb -0.14 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.95 2a57 s ASN 141 CO 0.07 -1.03 1.78 0.45 -2.79 0.00 0.00 177.10 175.58 2a57 h HIS 142 N 9.28 0.00 -0.05 0.43 3.86 -1.54 -3.00 115.15 124.13 2a57 h HIS 142 Ca -0.28 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2a57 h HIS 142 Cb 1.11 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 2a57 h HIS 142 CO 0.87 0.00 -0.04 0.78 0.86 0.00 0.00 177.93 180.40 2a57 h GLY 143 N 3.07 0.08 0.92 2.45 0.00 -1.81 -1.80 103.07 105.98 2a57 h GLY 143 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2a57 h GLY 143 CO 0.00 0.03 -0.10 3.43 0.00 0.00 0.00 176.54 179.90 2a57 h ASN 144 N 0.07 -0.24 -0.83 0.19 -0.26 -1.67 -0.84 115.58 112.01 2a57 h ASN 144 Ca 0.02 -0.06 0.11 0.00 -0.56 0.00 0.00 56.30 55.81 2a57 h ASN 144 Cb 0.12 0.06 -0.08 0.00 -1.06 0.00 0.00 38.32 37.36 2a57 h ASN 144 CO 0.01 -0.09 0.46 0.44 -1.06 0.00 0.00 177.43 177.19 2a57 h ASP 145 N -0.37 0.64 -0.77 5.81 3.32 -1.52 -0.68 116.42 122.86 2a57 h ASP 145 Ca -0.03 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2a57 h ASP 145 Cb 0.28 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2a57 h ASP 145 CO 0.05 0.34 0.30 -0.50 -1.72 0.00 0.00 179.24 177.71 2a57 h TRP 146 N 0.75 1.17 0.31 4.55 6.55 -1.08 -1.15 115.95 127.05 2a57 h TRP 146 Ca 0.42 -0.09 -0.01 0.00 0.95 0.00 0.00 58.89 60.16 2a57 h TRP 146 Cb 0.45 -0.35 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 2a57 h TRP 146 CO -0.07 0.89 -0.22 0.78 -1.05 0.00 0.00 178.44 178.77 2a57 h GLY 147 N 1.15 -0.54 1.00 1.49 0.00 0.33 0.13 103.07 106.63 2a57 h GLY 147 Ca 0.26 0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.87 2a57 h GLY 147 CO -0.02 -0.21 0.59 1.76 0.00 0.00 0.00 176.54 178.65 2a57 h SER 148 N -0.52 0.97 -0.58 0.19 0.02 -1.20 -1.87 113.55 110.56 2a57 h SER 148 Ca -0.03 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2a57 h SER 148 Cb 0.45 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2a57 h SER 148 CO 0.01 0.66 0.23 0.00 -1.14 0.00 0.00 176.83 176.59 2a57 h ALA 149 N 1.48 0.75 -0.14 3.77 0.00 -0.63 -0.63 119.26 123.86 2a57 h ALA 149 Ca 0.35 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2a57 h ALA 149 Cb 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2a57 h ALA 149 CO -0.11 0.36 -0.04 0.00 0.00 0.00 0.00 179.25 179.46 2a57 h ALA 150 N 1.08 0.09 -0.04 0.00 0.00 -0.05 -0.56 119.26 119.77 2a57 h ALA 150 Ca 0.19 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2a57 h ALA 150 Cb 0.20 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2a57 h ALA 150 CO -0.02 -0.49 -0.05 0.28 0.00 0.00 0.00 179.25 178.98 2a57 h VAL 151 N -0.01 0.86 -0.27 0.00 2.07 -0.99 0.21 116.25 118.12 2a57 h VAL 151 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2a57 h VAL 151 Cb 0.11 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2a57 h VAL 151 CO -0.15 0.00 0.14 -0.08 0.02 0.00 0.00 177.57 177.50 2a57 h GLU 152 N -0.07 0.29 -0.44 1.57 4.81 -0.86 -2.09 114.58 117.79 2a57 h GLU 152 Ca 0.03 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2a57 h GLU 152 Cb 0.12 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2a57 h GLU 152 CO -0.08 0.19 -0.03 0.52 -0.73 0.00 0.00 179.01 178.88 2a57 h MET 153 N 0.30 0.74 -0.02 1.92 2.86 -0.94 -2.06 114.93 117.72 2a57 h MET 153 Ca 0.11 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2a57 h MET 153 Cb 0.02 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 2a57 h MET 153 CO -0.07 0.77 0.01 0.78 1.06 0.00 0.00 176.91 179.47 2a57 h GLY 154 N 0.96 0.03 0.96 8.32 0.00 -0.58 -1.41 103.07 111.35 2a57 h GLY 154 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 2a57 h GLY 154 CO 0.02 0.01 -0.22 1.41 0.00 0.00 0.00 176.54 177.76 2a57 h LEU 155 N 0.02 -0.53 -2.32 3.11 3.38 -1.26 -2.26 115.31 115.47 2a57 h LEU 155 Ca 0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2a57 h LEU 155 Cb 0.01 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2a57 h LEU 155 CO -0.00 -0.34 0.22 0.11 0.09 0.00 0.00 178.44 178.52 2a57 h LYS 156 N -0.67 0.00 -0.39 1.13 1.57 -1.31 0.21 116.57 117.11 2a57 h LYS 156 Ca -0.06 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2a57 h LYS 156 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2a57 h LYS 156 CO 0.10 0.00 -0.24 0.00 -0.57 0.00 0.00 179.45 178.74 2a57 h ALA 157 N 1.63 0.83 0.00 3.86 0.00 -0.64 -3.51 119.26 121.44 2a57 h ALA 157 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2a57 h ALA 157 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2a57 h ALA 157 CO -0.00 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.17