#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h n ARG 3 N 0.00 0.00 -0.50 0.00 0.63 -1.26 -5.18 116.66 110.36 3a0h n ARG 3 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 3a0h n ARG 3 Cb 0.00 0.00 0.26 0.00 0.45 0.00 0.00 32.46 33.17 3a0h n ARG 3 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3a0h n ARG 4 N 0.00 -4.09 0.00 -0.14 1.85 -1.26 -5.03 116.66 107.99 3a0h n ARG 4 Ca 0.00 -1.47 0.00 0.00 -1.00 0.00 0.00 57.85 55.38 3a0h n ARG 4 Cb 0.00 -1.68 0.00 0.00 -1.05 0.00 0.00 32.46 29.73 3a0h n ARG 4 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3a0h n THR 5 N -5.31 0.00 0.14 8.89 -2.24 -1.26 -4.94 114.28 109.55 3a0h n THR 5 Ca 0.13 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.83 3a0h n THR 5 Cb 0.56 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 3a0h n THR 5 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3a0h h TRP 6 N 0.00 -0.68 -0.32 4.78 2.91 -2.00 -2.19 115.95 118.46 3a0h h TRP 6 Ca 0.00 0.01 -0.18 0.00 1.13 0.00 0.00 58.89 59.85 3a0h h TRP 6 Cb 0.00 0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.91 3a0h h TRP 6 CO 0.00 -0.32 -0.49 -0.07 -1.03 0.00 0.00 178.44 176.53 3a0h h LEU 7 N -0.48 0.97 -1.08 0.65 3.38 -1.97 -2.54 115.31 114.24 3a0h h LEU 7 Ca -0.03 -0.49 0.16 0.00 0.09 0.00 0.00 57.88 57.60 3a0h h LEU 7 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3a0h h LEU 7 CO -0.04 1.29 0.91 1.23 0.09 0.00 0.00 178.44 181.93 3a0h h GLY 8 N 0.74 0.00 0.00 0.83 0.00 -1.89 0.54 103.07 103.28 3a0h h GLY 8 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.00 3a0h h GLY 8 CO 0.11 0.00 -2.26 1.22 0.00 0.00 0.00 176.54 175.61 3a0h n ASP 9 N -3.10 1.85 0.24 0.19 9.92 -0.84 -3.90 116.55 120.91 3a0h n ASP 9 Ca 0.11 0.15 0.17 0.00 -0.53 0.00 0.00 54.79 54.69 3a0h n ASP 9 Cb 1.09 -0.56 0.76 0.00 -0.64 0.00 0.00 41.12 41.77 3a0h n ASP 9 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3a0h h ILE 10 N -0.55 0.14 -0.01 0.53 2.04 0.26 -1.36 117.51 118.55 3a0h h ILE 10 Ca -0.55 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3a0h h ILE 10 Cb 1.58 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3a0h h ILE 10 CO -0.26 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.07 3a0h n LEU 11 N -3.20 1.79 -0.12 1.44 4.77 0.14 -4.78 117.00 117.04 3a0h n LEU 11 Ca 0.02 -1.74 0.09 0.00 -0.03 0.00 0.00 56.01 54.34 3a0h n LEU 11 Cb 0.50 -0.01 0.43 0.00 -2.33 0.00 0.00 43.42 42.01 3a0h n LEU 11 CO 0.18 0.45 1.20 -0.09 -1.33 0.00 0.00 177.39 177.80 3a0h h ARG 12 N 0.10 0.56 0.58 3.23 9.65 -1.36 -3.19 114.38 123.96 3a0h h ARG 12 Ca 0.00 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 3a0h h ARG 12 Cb 0.39 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 3a0h h ARG 12 CO 0.00 0.37 -0.30 -1.00 2.80 0.00 0.00 179.97 181.84 3a0h h PRO 13 N 0.58 -0.78 -1.28 0.20 0.13 -1.86 -1.74 132.00 127.26 3a0h h PRO 13 Ca 0.28 0.05 0.44 0.00 -0.87 0.00 0.00 66.00 65.91 3a0h h PRO 13 Cb 0.36 0.18 -0.14 0.00 0.13 0.00 0.00 31.00 31.53 3a0h h PRO 13 CO -0.09 -0.52 0.80 -0.07 -0.23 0.00 0.00 178.00 177.90 3a0h h LEU 14 N -0.81 0.26 0.00 1.56 4.07 -1.93 0.48 115.31 118.94 3a0h h LEU 14 Ca -0.08 0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 3a0h h LEU 14 Cb 0.63 0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.53 3a0h h LEU 14 CO 0.11 -0.24 -0.99 -1.13 -1.08 0.00 0.00 178.44 175.11 3a0h h ASN 15 N 0.07 0.00 -0.08 -0.43 -0.00 -1.59 -3.42 115.58 110.13 3a0h h ASN 15 Ca 0.84 0.00 0.01 0.00 -0.00 0.00 0.00 56.30 57.15 3a0h h ASN 15 Cb 2.55 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 40.84 3a0h h ASN 15 CO -0.49 0.01 -0.23 0.77 -0.00 0.00 0.00 177.43 177.49 3a0h h SER 16 N 0.00 -0.74 0.00 1.15 4.64 0.92 -3.36 113.55 116.16 3a0h h SER 16 Ca -0.00 0.09 -0.38 0.00 -0.47 0.00 0.00 61.79 61.03 3a0h h SER 16 Cb 1.01 0.29 0.05 0.00 -0.31 0.00 0.00 62.40 63.45 3a0h h SER 16 CO 0.00 -0.20 1.76 -1.84 -0.87 0.00 0.00 176.83 175.68 3a0h n GLU 17 N -3.79 0.83 0.00 4.77 0.00 -1.26 -4.79 120.64 116.41 3a0h n GLU 17 Ca -0.02 -1.14 0.00 0.00 0.00 0.00 0.00 57.16 55.99 3a0h n GLU 17 Cb 0.16 -2.43 0.00 0.00 0.00 0.00 0.00 31.44 29.17 3a0h n GLU 17 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 3a0h n TYR 18 N 6.31 0.00 0.00 -1.84 -0.00 -1.26 -2.58 117.16 117.80 3a0h n TYR 18 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.23 3a0h n TYR 18 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.56 3a0h n TYR 18 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3a0h n GLY 19 N -0.23 -0.38 3.34 2.98 0.00 -1.26 -4.78 105.19 104.86 3a0h n GLY 19 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 3a0h n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a0h n LYS 20 N -1.37 0.43 -4.12 1.61 4.81 -1.06 -4.90 118.16 113.56 3a0h n LYS 20 Ca 0.00 0.11 -0.20 0.00 -0.87 0.00 0.00 58.31 57.36 3a0h n LYS 20 Cb 0.03 -1.90 -0.16 0.00 0.02 0.00 0.00 35.03 33.01 3a0h n LYS 20 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3a0h s VAL 21 N 6.76 0.49 0.44 3.15 0.11 -1.26 -5.12 120.40 124.96 3a0h s VAL 21 Ca 1.16 -0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 59.88 3a0h s VAL 21 Cb -1.22 -0.53 -0.08 0.00 -1.53 0.00 0.00 36.38 33.02 3a0h s VAL 21 CO 0.58 0.22 1.26 0.00 -3.33 0.00 0.00 175.10 173.83 3a0h s ALA 22 N 0.98 3.12 0.03 1.54 0.00 -1.26 -4.95 121.76 121.21 3a0h s ALA 22 Ca -0.10 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 3a0h s ALA 22 Cb -0.14 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 3a0h s ALA 22 CO -0.00 -0.83 1.38 -2.14 0.00 0.00 0.00 175.76 174.17 3a0h s PRO 23 N -2.44 4.30 5.08 0.00 0.02 -1.26 -4.86 135.00 135.84 3a0h s PRO 23 Ca 0.60 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3a0h s PRO 23 Cb -0.35 -3.49 0.00 0.00 0.02 0.00 0.00 34.50 30.68 3a0h s PRO 23 CO 0.44 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 3a0h n GLY 24 N 3.58 0.61 0.07 0.52 0.00 -1.26 -3.70 105.19 105.00 3a0h n GLY 24 Ca 0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 45.30 3a0h n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3a0h n TRP 25 N 9.75 0.00 0.00 1.61 7.02 -1.26 -5.00 117.44 129.56 3a0h n TRP 25 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3a0h n TRP 25 Cb 0.00 -0.79 0.00 0.00 -2.42 0.00 0.00 31.31 28.10 3a0h n TRP 25 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3a0h n GLY 26 N 1.75 1.72 0.21 6.99 0.00 -1.24 -2.00 105.19 112.63 3a0h n GLY 26 Ca -0.23 0.49 0.05 0.00 0.00 0.00 0.00 46.02 46.33 3a0h n GLY 26 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3a0h h THR 27 N 0.00 1.14 -0.00 2.61 2.02 -1.94 -3.40 112.91 113.34 3a0h h THR 27 Ca 0.00 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.29 3a0h h THR 27 Cb 0.00 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3a0h h THR 27 CO 0.00 0.25 -0.00 0.41 0.37 0.00 0.00 175.52 176.55 3a0h n THR 28 N -4.17 -0.00 -0.37 3.16 -1.04 -0.84 -1.02 114.28 109.99 3a0h n THR 28 Ca -0.02 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.01 3a0h n THR 28 Cb 0.31 -0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.91 3a0h n THR 28 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3a0h n PRO 29 N -2.97 -0.17 0.04 -2.82 -0.02 -1.26 0.24 135.00 128.05 3a0h n PRO 29 Ca 0.00 1.54 0.06 0.00 -2.02 0.00 0.00 63.50 63.08 3a0h n PRO 29 Cb 0.00 -2.30 0.26 0.00 -0.02 0.00 0.00 33.50 31.44 3a0h n PRO 29 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3a0h n LEU 30 N -5.54 0.18 -0.05 2.45 7.94 -0.19 -0.66 117.00 121.13 3a0h n LEU 30 Ca 0.13 0.56 -0.01 0.00 -1.11 0.00 0.00 56.01 55.58 3a0h n LEU 30 Cb 0.44 -0.56 -0.01 0.00 0.53 0.00 0.00 43.42 43.83 3a0h n LEU 30 CO -0.13 -0.50 -0.03 -0.03 -1.11 0.00 0.00 177.39 175.59 3a0h h MET 31 N 0.00 0.00 -0.49 1.96 4.05 0.30 -3.05 114.93 117.71 3a0h h MET 31 Ca 0.00 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.56 3a0h h MET 31 Cb 0.13 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 3a0h h MET 31 CO 0.00 0.03 0.45 0.00 0.23 0.00 0.00 176.91 177.62 3a0h h ALA 32 N -0.97 2.27 0.02 0.39 0.00 -0.57 1.23 119.26 121.63 3a0h h ALA 32 Ca -0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 3a0h h ALA 32 Cb 0.09 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3a0h h ALA 32 CO -0.00 -0.70 -0.99 -0.39 0.00 0.00 0.00 179.25 177.16 3a0h h VAL 33 N 0.00 1.39 0.05 0.00 -1.51 -0.97 -2.21 116.25 113.00 3a0h h VAL 33 Ca 0.23 -2.47 -0.24 0.00 -1.23 0.00 0.00 66.70 63.00 3a0h h VAL 33 Cb 1.13 2.47 -0.00 0.00 -2.13 0.00 0.00 31.29 32.76 3a0h h VAL 33 CO -0.00 0.74 -1.04 -0.26 -1.23 0.00 0.00 177.57 175.78 3a0h h PHE 34 N 0.24 0.47 0.00 5.19 0.04 -0.47 -2.39 116.94 120.02 3a0h h PHE 34 Ca -0.10 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.38 3a0h h PHE 34 Cb 1.64 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.75 3a0h h PHE 34 CO 0.07 1.15 0.00 -0.12 -0.60 0.00 0.00 178.31 178.81 3a0h n MET 35 N -3.63 0.00 -0.26 1.51 1.56 0.39 0.12 117.12 116.80 3a0h n MET 35 Ca -0.06 0.39 0.13 0.00 -0.27 0.00 0.00 57.70 57.89 3a0h n MET 35 Cb 0.90 -1.11 0.40 0.00 2.15 0.00 0.00 33.22 35.56 3a0h n MET 35 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 3a0h h GLY 36 N 0.00 1.16 1.64 -5.12 0.00 -1.55 1.12 103.07 100.33 3a0h h GLY 36 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.10 3a0h h GLY 36 CO 0.00 0.06 0.13 -2.00 0.00 0.00 0.00 176.54 174.74 3a0h h LEU 37 N 0.63 0.00 0.12 3.11 5.85 -0.86 -2.39 115.31 121.77 3a0h h LEU 37 Ca 0.46 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 3a0h h LEU 37 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3a0h h LEU 37 CO -0.21 0.00 -0.06 0.15 -0.34 0.00 0.00 178.44 177.98 3a0h h PHE 38 N 0.00 -0.15 0.00 1.25 3.57 0.90 -3.35 116.94 119.16 3a0h h PHE 38 Ca 0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3a0h h PHE 38 Cb 0.34 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3a0h h PHE 38 CO 0.00 0.20 0.00 1.28 -2.23 0.00 0.00 178.31 177.56 3a0h n LEU 39 N -4.86 0.00 -0.07 0.59 4.32 -0.78 0.28 117.00 116.48 3a0h n LEU 39 Ca -0.05 0.68 0.22 0.00 -0.02 0.00 0.00 56.01 56.84 3a0h n LEU 39 Cb 0.21 -0.34 0.39 0.00 -1.62 0.00 0.00 43.42 42.06 3a0h n LEU 39 CO 0.17 -0.34 1.20 0.58 -1.22 0.00 0.00 177.39 177.78 3a0h h VAL 40 N 0.00 0.03 0.59 4.08 2.07 -1.71 0.35 116.25 121.66 3a0h h VAL 40 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3a0h h VAL 40 Cb 0.00 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 29.85 3a0h h VAL 40 CO 0.00 0.00 -0.28 0.15 0.02 0.00 0.00 177.57 177.46 3a0h h PHE 41 N 0.00 -0.74 0.54 1.57 3.57 0.39 0.15 116.94 122.42 3a0h h PHE 41 Ca 0.36 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 3a0h h PHE 41 Cb 2.55 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 41.52 3a0h h PHE 41 CO 0.00 -0.43 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.09 3a0h h LEU 42 N -1.17 -1.33 -0.68 0.59 3.38 -0.17 0.95 115.31 116.89 3a0h h LEU 42 Ca -0.08 0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.12 3a0h h LEU 42 Cb 0.64 0.43 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 3a0h h LEU 42 CO 0.13 -0.66 -0.17 0.25 0.09 0.00 0.00 178.44 178.08 3a0h h LEU 43 N -1.01 -0.64 -1.81 1.67 6.46 -1.31 2.01 115.31 120.68 3a0h h LEU 43 Ca -0.07 0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3a0h h LEU 43 Cb 0.87 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 3a0h h LEU 43 CO -0.03 -0.22 0.00 0.40 -0.62 0.00 0.00 178.44 177.97 3a0h h ILE 44 N -0.00 1.06 0.03 4.05 1.08 -0.35 0.93 117.51 124.31 3a0h h ILE 44 Ca 0.32 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.58 3a0h h ILE 44 Cb 0.50 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 3a0h h ILE 44 CO -0.70 0.07 -0.01 0.40 -0.69 0.00 0.00 178.15 177.22 3a0h h ILE 45 N 0.12 1.08 -0.38 -0.67 2.04 0.28 -2.39 117.51 117.59 3a0h h ILE 45 Ca 0.03 -1.70 0.08 0.00 1.00 0.00 0.00 64.86 64.27 3a0h h ILE 45 Cb 0.08 2.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.08 3a0h h ILE 45 CO 0.00 0.35 -0.21 0.25 0.00 0.00 0.00 178.15 178.54 3a0h h LEU 46 N -0.96 -0.71 -2.10 1.44 6.46 0.32 0.82 115.31 120.57 3a0h h LEU 46 Ca -0.00 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3a0h h LEU 46 Cb 0.60 0.37 -0.00 0.00 -0.73 0.00 0.00 40.66 40.91 3a0h h LEU 46 CO 0.01 -0.24 -0.07 -0.33 -0.62 0.00 0.00 178.44 177.19 3a0h h GLU 47 N -0.15 0.00 0.05 1.25 5.08 0.82 1.15 114.58 122.78 3a0h h GLU 47 Ca 0.19 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.34 3a0h h GLU 47 Cb 0.44 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.71 3a0h h GLU 47 CO -0.47 0.07 -0.84 0.82 -1.00 0.00 0.00 179.01 177.59 3a0h h ILE 48 N 0.00 1.39 0.58 3.13 2.04 -0.54 2.45 117.51 126.56 3a0h h ILE 48 Ca -0.00 -2.25 -0.03 0.00 1.00 0.00 0.00 64.86 63.58 3a0h h ILE 48 Cb 0.27 2.67 0.01 0.00 -0.74 0.00 0.00 36.82 39.03 3a0h h ILE 48 CO 0.01 0.67 -0.28 0.22 0.00 0.00 0.00 178.15 178.76 3a0h h TYR 49 N 0.02 -0.73 -1.00 1.37 5.03 -0.20 -2.90 116.97 118.56 3a0h h TYR 49 Ca -0.12 -0.02 0.29 0.00 2.58 0.00 0.00 58.73 61.46 3a0h h TYR 49 Cb 1.55 0.24 -0.04 0.00 1.55 0.00 0.00 36.73 40.03 3a0h h TYR 49 CO 0.14 -0.39 0.84 -0.97 -1.32 0.00 0.00 178.16 176.46 3a0h h ASN 50 N -1.03 0.00 0.00 -2.11 -0.00 0.12 -3.44 115.58 109.12 3a0h h ASN 50 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.22 3a0h h ASN 50 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.98 3a0h h ASN 50 CO 0.13 0.00 0.00 -1.20 -0.00 0.00 0.00 177.43 176.36 3a0h n SER 51 N -3.88 -0.60 0.02 1.15 7.64 -1.10 -4.97 113.62 111.88 3a0h n SER 51 Ca 0.21 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.07 3a0h n SER 51 Cb 1.17 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 64.17 3a0h n SER 51 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3a0h n THR 52 N -2.20 1.28 -3.88 0.44 -1.04 -0.19 -4.78 114.28 103.90 3a0h n THR 52 Ca 0.00 -0.71 -0.36 0.00 -2.04 0.00 0.00 64.05 60.94 3a0h n THR 52 Cb 0.00 -0.80 -0.11 0.00 -1.82 0.00 0.00 70.33 67.60 3a0h n THR 52 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3a0h s LEU 53 N -5.84 3.66 0.21 -4.42 1.98 0.81 -4.95 118.68 110.13 3a0h s LEU 53 Ca -0.03 -0.06 0.08 0.00 -2.89 0.00 0.00 54.13 51.23 3a0h s LEU 53 Cb 0.09 -1.96 -0.04 0.00 0.66 0.00 0.00 46.19 44.94 3a0h s LEU 53 CO 0.81 0.06 0.02 -0.63 -1.89 0.00 0.00 176.35 174.73 3a0h s ILE 54 N 1.04 3.74 0.38 6.68 -1.09 -1.26 -4.35 121.20 126.33 3a0h s ILE 54 Ca 0.04 -1.56 -0.13 0.00 -2.23 0.00 0.00 60.65 56.78 3a0h s ILE 54 Cb -0.14 -2.93 0.04 0.00 -1.58 0.00 0.00 42.46 37.86 3a0h s ILE 54 CO 0.03 -0.21 0.73 -0.76 -1.23 0.00 0.00 174.94 173.50 3a0h s LEU 55 N -3.25 0.21 0.11 2.97 2.01 -1.26 -5.12 118.68 114.35 3a0h s LEU 55 Ca 0.29 -1.22 0.04 0.00 0.01 0.00 0.00 54.13 53.25 3a0h s LEU 55 Cb -0.08 2.57 -0.04 0.00 0.01 0.00 0.00 46.19 48.65 3a0h s LEU 55 CO 0.20 -1.61 0.09 -1.81 1.01 0.00 0.00 176.35 174.22 3a0h s ASP 56 N -3.11 5.49 -1.81 2.29 1.01 -1.26 -4.02 116.67 115.27 3a0h s ASP 56 Ca 0.19 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.39 3a0h s ASP 56 Cb -0.04 -1.45 0.00 0.00 1.01 0.00 0.00 42.92 42.44 3a0h s ASP 56 CO 0.13 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.26 3a0h n GLY 57 N 0.22 1.65 2.20 0.21 0.00 -1.26 -4.84 105.19 103.37 3a0h n GLY 57 Ca -0.09 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 3a0h n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a0h n VAL 58 N -2.39 -0.36 -3.79 1.61 0.31 -1.26 -5.04 118.33 107.41 3a0h n VAL 58 Ca -0.17 -4.32 -0.37 0.00 -0.01 0.00 0.00 64.34 59.48 3a0h n VAL 58 Cb 0.62 -0.86 -0.12 0.00 -0.91 0.00 0.00 33.84 32.57 3a0h n VAL 58 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3a0h s ASN 59 N -1.95 5.20 -0.32 4.52 3.84 -1.26 -4.07 114.94 120.89 3a0h s ASN 59 Ca 0.38 -1.36 -0.28 0.00 0.21 0.00 0.00 52.86 51.82 3a0h s ASN 59 Cb 0.28 -1.82 -0.04 0.00 -0.55 0.00 0.00 41.25 39.12 3a0h s ASN 59 CO -0.09 -0.36 2.08 0.68 -2.79 0.00 0.00 177.10 176.62 3a0h s VAL 60 N 1.31 3.19 0.24 -5.21 -7.23 -1.26 -4.92 120.40 106.52 3a0h s VAL 60 Ca -0.01 0.18 -0.22 0.00 -1.81 0.00 0.00 61.98 60.12 3a0h s VAL 60 Cb -0.20 -3.29 0.03 0.00 0.56 0.00 0.00 36.38 33.48 3a0h s VAL 60 CO 0.00 -0.21 0.78 -0.94 -0.31 0.00 0.00 175.10 174.43 3a0h s SER 61 N 8.14 -0.24 0.48 4.85 1.04 -1.26 -5.01 113.70 121.71 3a0h s SER 61 Ca 0.91 -0.55 0.16 0.00 0.48 0.00 0.00 55.95 56.95 3a0h s SER 61 Cb -0.26 0.66 1.16 0.00 0.10 0.00 0.00 66.02 67.69 3a0h s SER 61 CO 0.32 -1.22 2.07 -0.50 0.98 0.00 0.00 173.24 174.88 3a0h h TRP 62 N 2.00 0.19 -3.66 5.02 4.06 -2.09 -3.38 115.95 118.10 3a0h h TRP 62 Ca -0.21 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.23 3a0h h TRP 62 Cb 1.25 -0.06 0.06 0.00 -1.00 0.00 0.00 29.16 29.40 3a0h h TRP 62 CO 0.41 0.11 0.67 0.21 -3.56 0.00 0.00 178.44 176.28 3a0h s LYS 63 N -5.21 4.34 0.00 0.49 2.20 -1.26 -4.82 119.74 115.48 3a0h s LYS 63 Ca -0.06 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 3a0h s LYS 63 Cb 0.18 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 3a0h s LYS 63 CO 0.71 -0.25 0.00 0.00 -0.36 0.00 0.00 175.35 175.45 3a0h n ALA 64 N 1.53 0.00 0.82 3.13 0.00 -1.26 -4.93 120.51 119.79 3a0h n ALA 64 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.57 3a0h n ALA 64 Cb 0.42 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.95 3a0h n ALA 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39