#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1acp h THR 2 N 0.00 1.24 0.00 0.44 1.03 -1.81 0.02 112.91 113.84 1acp h THR 2 Ca 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 1acp h THR 2 Cb 0.00 -0.09 0.00 0.00 -1.07 0.00 0.00 68.15 66.99 1acp h THR 2 CO 0.00 0.24 0.00 -0.38 -0.01 0.00 0.00 175.52 175.37 1acp n ILE 3 N -4.38 0.00 -0.02 0.00 5.41 -1.26 -4.42 119.36 114.69 1acp n ILE 3 Ca 0.11 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.67 1acp n ILE 3 Cb 0.03 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 38.83 1acp n ILE 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 1acp h GLU 4 N 0.00 0.14 0.27 0.38 9.09 -1.96 0.53 114.58 123.05 1acp h GLU 4 Ca 0.00 -0.25 0.00 0.00 0.05 0.00 0.00 59.36 59.17 1acp h GLU 4 Cb 0.00 0.09 -0.04 0.00 -1.65 0.00 0.00 28.75 27.15 1acp h GLU 4 CO 0.00 1.12 -0.49 0.93 0.05 0.00 0.00 179.01 180.62 1acp h GLU 5 N -0.66 -0.80 -0.07 1.06 5.08 -1.95 0.94 114.58 118.18 1acp h GLU 5 Ca -0.16 0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.03 1acp h GLU 5 Cb 1.41 0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.85 1acp h GLU 5 CO 0.03 -0.53 -0.87 0.00 -1.00 0.00 0.00 179.01 176.64 1acp h ARG 6 N -0.83 0.64 -0.90 2.33 -0.00 -1.97 1.08 114.38 114.73 1acp h ARG 6 Ca -0.02 -0.59 0.36 0.00 -0.50 0.00 0.00 59.98 59.23 1acp h ARG 6 Cb 0.79 0.14 -0.16 0.00 0.00 0.00 0.00 29.97 30.74 1acp h ARG 6 CO -0.19 1.20 0.43 1.33 0.00 0.00 0.00 179.97 182.75 1acp n VAL 7 N -3.87 -0.38 0.00 2.04 0.24 0.19 -4.06 118.33 112.50 1acp n VAL 7 Ca -0.08 1.85 0.00 0.00 -2.04 0.00 0.00 64.34 64.07 1acp n VAL 7 Cb 0.79 -2.97 0.00 0.00 -1.47 0.00 0.00 33.84 30.20 1acp n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1acp n LYS 8 N -5.07 0.00 0.00 7.34 5.02 0.32 -0.21 118.16 125.57 1acp n LYS 8 Ca 0.33 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1acp n LYS 8 Cb 1.11 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.12 1acp n LYS 8 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1acp n LYS 9 N 0.00 0.00 0.00 1.97 3.00 0.37 0.13 118.16 123.62 1acp n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1acp n LYS 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1acp n LYS 9 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1acp n ILE 10 N 0.00 0.00 -2.59 3.15 3.06 -1.26 -4.83 119.36 116.89 1acp n ILE 10 Ca 0.00 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 60.05 1acp n ILE 10 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1acp n ILE 10 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 1acp n ILE 11 N 0.00 -1.15 -3.66 9.51 2.08 0.71 0.11 119.36 126.97 1acp n ILE 11 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1acp n ILE 11 Cb 0.00 -2.82 0.00 0.00 -0.75 0.00 0.00 39.64 36.07 1acp n ILE 11 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1acp n GLY 12 N -1.10 1.43 4.49 7.39 0.00 0.12 0.06 105.19 117.58 1acp n GLY 12 Ca -0.19 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1acp n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1acp n GLU 13 N 12.79 0.00 -3.93 1.61 1.02 -1.26 -4.61 120.64 126.26 1acp n GLU 13 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1acp n GLU 13 Cb 0.00 -0.12 -0.00 0.00 -0.02 0.00 0.00 31.44 31.30 1acp n GLU 13 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1acp n GLN 14 N 0.00 -3.97 -0.02 3.49 0.00 0.30 -4.92 117.38 112.26 1acp n GLN 14 Ca 0.00 0.48 -0.21 0.00 0.00 0.00 0.00 57.00 57.27 1acp n GLN 14 Cb 0.00 -4.90 -0.13 0.00 0.00 0.00 0.00 30.24 25.21 1acp n GLN 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1acp n LEU 15 N -4.41 2.63 -3.99 2.61 7.94 0.11 -4.28 117.00 117.62 1acp n LEU 15 Ca -0.20 0.17 -0.38 0.00 -1.11 0.00 0.00 56.01 54.49 1acp n LEU 15 Cb 0.63 -1.07 -0.04 0.00 0.53 0.00 0.00 43.42 43.47 1acp n LEU 15 CO 0.75 0.83 0.59 0.61 -1.11 0.00 0.00 177.39 179.06 1acp n GLY 16 N 1.99 4.56 3.44 -3.96 0.00 -1.25 -4.82 105.19 105.15 1acp n GLY 16 Ca -0.35 -2.65 -0.33 0.00 0.00 0.00 0.00 46.02 42.69 1acp n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1acp s VAL 17 N -1.98 3.48 -0.79 1.61 0.11 -1.24 -4.50 120.40 117.09 1acp s VAL 17 Ca 0.31 -0.51 -0.07 0.00 -2.93 0.00 0.00 61.98 58.79 1acp s VAL 17 Cb -0.00 -2.50 -0.12 0.00 -1.53 0.00 0.00 36.38 32.23 1acp s VAL 17 CO -0.03 0.51 2.65 2.29 -3.33 0.00 0.00 175.10 177.18 1acp n LYS 18 N 3.51 2.35 0.26 1.54 -0.00 -1.26 -4.53 118.16 120.03 1acp n LYS 18 Ca -0.18 -1.42 0.13 0.00 -0.00 0.00 0.00 58.31 56.85 1acp n LYS 18 Cb 0.53 -2.34 0.72 0.00 -0.00 0.00 0.00 35.03 33.93 1acp n LYS 18 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1acp h GLN 19 N 4.97 0.00 0.04 -1.58 4.20 -1.91 -3.28 115.11 117.56 1acp h GLN 19 Ca 0.48 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.97 1acp h GLN 19 Cb 0.56 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1acp h GLN 19 CO 1.12 0.00 -1.19 0.93 -0.67 0.00 0.00 178.83 179.03 1acp h GLU 20 N 0.00 0.08 -1.31 1.46 5.08 -1.95 -3.48 114.58 114.47 1acp h GLU 20 Ca 0.00 -0.14 -0.43 0.00 -1.00 0.00 0.00 59.36 57.79 1acp h GLU 20 Cb 0.42 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.57 1acp h GLU 20 CO 0.00 1.07 -0.41 -0.85 -1.00 0.00 0.00 179.01 177.82 1acp n GLU 21 N -4.25 -1.49 -4.20 2.33 -0.00 -1.24 -5.01 120.64 106.79 1acp n GLU 21 Ca -0.27 1.20 -0.26 0.00 -0.00 0.00 0.00 57.16 57.83 1acp n GLU 21 Cb 0.74 -5.63 -0.07 0.00 -0.00 0.00 0.00 31.44 26.48 1acp n GLU 21 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1acp s VAL 22 N -2.81 3.80 0.73 3.84 1.01 -1.26 -5.09 120.40 120.63 1acp s VAL 22 Ca 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 60.42 1acp s VAL 22 Cb 0.00 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.47 1acp s VAL 22 CO 0.00 -0.16 1.07 -0.89 0.00 0.00 0.00 175.10 175.13 1acp s THR 23 N -1.83 3.69 0.51 3.92 2.01 -1.26 -4.79 115.64 117.89 1acp s THR 23 Ca 0.29 0.55 0.28 0.00 0.31 0.00 0.00 61.69 63.11 1acp s THR 23 Cb -0.09 -3.22 0.46 0.00 0.01 0.00 0.00 72.50 69.66 1acp s THR 23 CO 0.20 -0.72 1.88 -0.55 -0.69 0.00 0.00 174.62 174.74 1acp h ASN 24 N -0.90 0.11 -0.92 3.53 -1.07 -1.98 -2.46 115.58 111.89 1acp h ASN 24 Ca -0.44 0.01 0.19 0.00 0.07 0.00 0.00 56.30 56.13 1acp h ASN 24 Cb 1.22 -0.01 -0.11 0.00 -2.07 0.00 0.00 38.32 37.36 1acp h ASN 24 CO 0.56 0.04 0.49 -1.13 0.07 0.00 0.00 177.43 177.46 1acp h ASN 25 N 0.11 0.56 -3.48 6.14 -0.73 -1.92 -3.39 115.58 112.86 1acp h ASN 25 Ca 0.44 0.12 -0.52 0.00 1.87 0.00 0.00 56.30 58.20 1acp h ASN 25 Cb 1.57 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 40.18 1acp h ASN 25 CO -0.06 0.15 0.43 0.00 -0.37 0.00 0.00 177.43 177.59 1acp s ALA 26 N -5.89 3.30 0.00 1.57 0.00 -0.93 -4.81 121.76 115.00 1acp s ALA 26 Ca -0.12 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1acp s ALA 26 Cb 0.24 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1acp s ALA 26 CO 0.79 -0.19 0.00 0.43 0.00 0.00 0.00 175.76 176.79 1acp n SER 27 N 3.00 1.17 -0.27 0.00 7.64 -1.26 -4.80 113.62 119.09 1acp n SER 27 Ca 0.04 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.00 1acp n SER 27 Cb 0.48 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.90 1acp n SER 27 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1acp h PHE 28 N 0.00 0.50 0.00 1.43 0.04 -1.80 -3.38 116.94 113.74 1acp h PHE 28 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1acp h PHE 28 Cb 0.00 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.05 1acp h PHE 28 CO 0.00 -0.00 0.00 1.55 -0.60 0.00 0.00 178.31 179.26 1acp n VAL 29 N -5.05 0.00 0.00 -0.55 3.14 -1.26 -3.65 118.33 110.96 1acp n VAL 29 Ca 0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.55 1acp n VAL 29 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 1acp n VAL 29 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1acp n GLU 30 N 0.00 3.12 -0.15 1.45 2.13 -1.26 -4.56 120.64 121.38 1acp n GLU 30 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 1acp n GLU 30 Cb 0.00 -0.63 0.26 0.00 0.27 0.00 0.00 31.44 31.34 1acp n GLU 30 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1acp n ASP 31 N -0.58 1.94 -0.51 4.31 2.03 -1.26 -1.73 116.55 120.75 1acp n ASP 31 Ca 0.00 -1.88 0.05 0.00 0.52 0.00 0.00 54.79 53.48 1acp n ASP 31 Cb 0.05 -0.19 0.11 0.00 -0.72 0.00 0.00 41.12 40.37 1acp n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1acp n LEU 32 N 0.53 2.60 0.00 -2.67 -0.00 -1.26 -4.99 117.00 111.20 1acp n LEU 32 Ca 0.14 -1.81 0.00 0.00 -0.00 0.00 0.00 56.01 54.35 1acp n LEU 32 Cb 0.34 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 1acp n LEU 32 CO 0.11 0.63 0.00 0.61 -0.00 0.00 0.00 177.39 178.74 1acp n GLY 33 N 0.39 1.34 1.22 1.47 0.00 -0.71 -5.17 105.19 103.74 1acp n GLY 33 Ca 0.09 -0.04 0.16 0.00 0.00 0.00 0.00 46.02 46.23 1acp n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1acp n ALA 34 N 0.00 -2.99 -2.70 4.61 0.00 -1.04 -4.79 120.51 113.60 1acp n ALA 34 Ca 0.00 0.36 -0.36 0.00 0.00 0.00 0.00 53.44 53.44 1acp n ALA 34 Cb 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 1acp n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1acp s ASP 35 N -6.15 6.26 0.00 0.00 2.15 -1.26 -5.05 116.67 112.62 1acp s ASP 35 Ca 0.00 0.30 -0.12 0.00 0.43 0.00 0.00 52.55 53.15 1acp s ASP 35 Cb 0.00 -2.13 -0.07 0.00 -0.30 0.00 0.00 42.92 40.42 1acp s ASP 35 CO 0.00 0.09 0.81 -1.28 -0.17 0.00 0.00 175.17 174.62 1acp h SER 36 N 7.02 -0.38 -0.01 -0.34 0.87 -2.01 -3.30 113.55 115.40 1acp h SER 36 Ca -0.39 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1acp h SER 36 Cb 1.16 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1acp h SER 36 CO 0.72 -0.17 0.01 0.17 -0.53 0.00 0.00 176.83 177.03 1acp h LEU 37 N -0.64 0.00 0.43 2.23 -0.00 -1.97 -1.01 115.31 114.35 1acp h LEU 37 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 1acp h LEU 37 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1acp h LEU 37 CO 0.07 0.00 -0.27 -0.78 -0.00 0.00 0.00 178.44 177.46 1acp h ASP 38 N 0.00 -0.69 -0.57 0.17 1.82 -1.99 0.00 116.42 115.16 1acp h ASP 38 Ca 0.00 0.04 0.11 0.00 -0.39 0.00 0.00 57.03 56.80 1acp h ASP 38 Cb 0.02 0.20 -0.11 0.00 0.68 0.00 0.00 39.33 40.12 1acp h ASP 38 CO -0.00 -0.41 -0.16 0.74 -1.61 0.00 0.00 179.24 177.79 1acp h THR 39 N -0.66 0.40 0.57 2.25 2.02 -1.43 -0.78 112.91 115.28 1acp h THR 39 Ca -0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1acp h THR 39 Cb 0.53 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1acp h THR 39 CO 0.05 0.00 -0.28 0.58 0.37 0.00 0.00 175.52 176.25 1acp h VAL 40 N -0.02 0.35 -0.32 3.16 2.07 -1.14 0.40 116.25 120.75 1acp h VAL 40 Ca 0.27 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1acp h VAL 40 Cb 0.44 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1acp h VAL 40 CO -0.60 0.04 0.02 -0.08 0.02 0.00 0.00 177.57 176.97 1acp h GLU 41 N -0.96 0.48 0.02 1.57 4.22 -0.99 0.36 114.58 119.27 1acp h GLU 41 Ca -0.08 -0.09 -0.21 0.00 0.08 0.00 0.00 59.36 59.06 1acp h GLU 41 Cb 0.65 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1acp h GLU 41 CO 0.13 0.49 -0.98 1.25 -2.18 0.00 0.00 179.01 177.72 1acp h LEU 42 N 0.47 0.07 -0.70 1.64 6.46 -0.99 0.35 115.31 122.61 1acp h LEU 42 Ca 0.10 -0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 57.68 1acp h LEU 42 Cb 0.27 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1acp h LEU 42 CO 0.00 1.00 -0.52 1.62 -0.62 0.00 0.00 178.44 179.93 1acp h VAL 43 N 0.02 1.12 0.37 1.05 3.04 0.20 0.40 116.25 122.45 1acp h VAL 43 Ca -0.03 -1.94 -0.00 0.00 -1.01 0.00 0.00 66.70 63.72 1acp h VAL 43 Cb 1.70 2.13 -0.03 0.00 -2.01 0.00 0.00 31.29 33.08 1acp h VAL 43 CO 0.13 0.51 -0.49 0.24 -1.01 0.00 0.00 177.57 176.95 1acp h MET 44 N 0.00 -0.86 -0.72 4.17 2.86 -0.12 0.34 114.93 120.59 1acp h MET 44 Ca -0.01 0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.81 1acp h MET 44 Cb 1.08 0.20 -0.13 0.00 0.06 0.00 0.00 31.60 32.82 1acp h MET 44 CO 0.07 -0.58 -0.39 0.00 1.06 0.00 0.00 176.91 177.07 1acp h ALA 45 N -0.67 -0.08 -0.14 6.32 0.00 0.03 -2.04 119.26 122.68 1acp h ALA 45 Ca -0.04 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1acp h ALA 45 Cb 0.82 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1acp h ALA 45 CO -0.13 -0.71 0.02 1.37 0.00 0.00 0.00 179.25 179.79 1acp h LEU 46 N -0.13 0.22 -0.10 0.00 -0.00 -0.05 0.48 115.31 115.73 1acp h LEU 46 Ca 0.25 -0.27 0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1acp h LEU 46 Cb 0.56 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1acp h LEU 46 CO -0.78 0.44 -0.06 1.21 -0.00 0.00 0.00 178.44 179.25 1acp n GLU 47 N -4.80 -0.04 0.05 0.17 2.13 0.12 0.20 120.64 118.46 1acp n GLU 47 Ca -0.05 0.63 -0.13 0.00 0.66 0.00 0.00 57.16 58.26 1acp n GLU 47 Cb 0.18 -0.93 -0.08 0.00 0.27 0.00 0.00 31.44 30.88 1acp n GLU 47 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1acp h GLU 48 N 0.00 -0.09 -0.39 5.31 4.57 -1.13 1.10 114.58 123.95 1acp h GLU 48 Ca 0.02 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1acp h GLU 48 Cb 0.04 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1acp h GLU 48 CO -0.09 0.11 0.13 0.93 -1.18 0.00 0.00 179.01 178.90 1acp h GLU 49 N -0.27 0.57 0.00 1.92 4.39 -0.52 -2.73 114.58 117.94 1acp h GLU 49 Ca -0.01 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1acp h GLU 49 Cb 0.23 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1acp h GLU 49 CO 0.02 0.50 -1.05 1.19 -1.16 0.00 0.00 179.01 178.50 1acp n PHE 50 N -4.35 0.01 -3.72 4.33 3.72 0.13 -4.57 117.46 113.01 1acp n PHE 50 Ca 0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.19 1acp n PHE 50 Cb 0.17 -0.08 0.04 0.00 -0.94 0.00 0.00 39.48 38.67 1acp n PHE 50 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1acp n ASP 51 N -1.58 -2.86 -1.60 4.37 5.68 0.38 -0.63 116.55 120.31 1acp n ASP 51 Ca 0.03 -0.75 -0.05 0.00 -0.50 0.00 0.00 54.79 53.52 1acp n ASP 51 Cb 0.36 -4.25 -0.02 0.00 -1.14 0.00 0.00 41.12 36.07 1acp n ASP 51 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1acp n THR 52 N -4.45 0.00 -4.21 2.12 5.66 -1.20 -4.78 114.28 107.42 1acp n THR 52 Ca -0.17 -0.61 -0.12 0.00 -3.05 0.00 0.00 64.05 60.10 1acp n THR 52 Cb 0.62 0.33 -0.10 0.00 -1.55 0.00 0.00 70.33 69.63 1acp n THR 52 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1acp s GLU 53 N -2.32 0.96 -0.32 1.09 2.12 -1.26 -4.88 118.70 114.09 1acp s GLU 53 Ca 0.10 -1.41 -0.01 0.00 0.36 0.00 0.00 54.97 54.01 1acp s GLU 53 Cb 0.00 -0.36 0.13 0.00 0.26 0.00 0.00 34.13 34.16 1acp s GLU 53 CO 0.07 -0.00 0.23 0.42 -0.54 0.00 0.00 175.26 175.44 1acp s ILE 54 N -3.53 -0.13 0.76 -3.70 1.01 -1.26 -5.08 121.20 109.27 1acp s ILE 54 Ca 0.15 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 1acp s ILE 54 Cb 0.04 -0.97 -0.08 0.00 0.01 0.00 0.00 42.46 41.46 1acp s ILE 54 CO -0.02 -0.72 0.04 -2.65 0.00 0.00 0.00 174.94 171.60 1acp n PRO 55 N 4.77 0.10 0.00 2.79 -0.02 -1.26 -4.77 135.00 136.61 1acp n PRO 55 Ca 0.03 0.06 0.15 0.00 -2.02 0.00 0.00 63.50 61.71 1acp n PRO 55 Cb 0.42 -1.44 0.68 0.00 -0.02 0.00 0.00 33.50 33.14 1acp n PRO 55 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1acp n ASP 56 N 1.17 0.90 0.05 2.55 8.00 -1.26 -1.36 116.55 126.60 1acp n ASP 56 Ca 0.06 -1.27 -0.22 0.00 0.71 0.00 0.00 54.79 54.08 1acp n ASP 56 Cb 0.51 -0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.46 1acp n ASP 56 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1acp h GLU 57 N 1.39 0.33 0.00 -1.24 4.81 -1.98 -0.60 114.58 117.30 1acp h GLU 57 Ca 0.00 -0.56 -0.08 0.00 -0.13 0.00 0.00 59.36 58.58 1acp h GLU 57 Cb 0.31 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1acp h GLU 57 CO 0.00 1.27 -0.43 1.05 -0.73 0.00 0.00 179.01 180.17 1acp h GLU 58 N -0.21 0.00 0.03 1.92 4.11 -1.94 -1.55 114.58 116.94 1acp h GLU 58 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1acp h GLU 58 Cb 1.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 1acp h GLU 58 CO 0.14 0.37 -0.03 0.00 0.07 0.00 0.00 179.01 179.57 1acp h ALA 59 N 1.62 -0.05 -5.00 1.06 0.00 -1.33 -3.38 119.26 112.17 1acp h ALA 59 Ca -0.01 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.49 1acp h ALA 59 Cb 1.30 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1acp h ALA 59 CO 0.05 -0.53 -0.60 -1.91 0.00 0.00 0.00 179.25 176.25 1acp n GLU 60 N -5.13 -4.63 -2.89 0.00 0.00 -0.23 -2.61 120.64 105.16 1acp n GLU 60 Ca -0.07 0.74 -0.04 0.00 0.00 0.00 0.00 57.16 57.79 1acp n GLU 60 Cb 0.06 -5.57 0.02 0.00 0.00 0.00 0.00 31.44 25.95 1acp n GLU 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1acp n LYS 61 N -4.03 -1.36 -1.53 5.31 4.81 -1.24 -4.86 118.16 115.25 1acp n LYS 61 Ca -0.06 1.18 -0.40 0.00 -0.87 0.00 0.00 58.31 58.16 1acp n LYS 61 Cb 0.58 -5.18 -0.06 0.00 0.02 0.00 0.00 35.03 30.39 1acp n LYS 61 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1acp n ILE 62 N -2.04 0.00 1.74 3.15 5.41 -1.07 -4.77 119.36 121.79 1acp n ILE 62 Ca -0.02 -0.54 0.02 0.00 1.00 0.00 0.00 62.75 63.21 1acp n ILE 62 Cb 0.53 -2.17 0.10 0.00 -0.71 0.00 0.00 39.64 37.38 1acp n ILE 62 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1acp n THR 63 N 7.78 0.10 -0.62 1.39 -2.24 -1.26 -4.93 114.28 114.50 1acp n THR 63 Ca 0.43 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 1acp n THR 63 Cb 0.39 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1acp n THR 63 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1acp n THR 64 N -0.29 0.00 0.00 4.28 -1.04 -1.26 -4.44 114.28 111.53 1acp n THR 64 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1acp n THR 64 Cb 0.08 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1acp n THR 64 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1acp n VAL 65 N -2.62 0.00 0.16 12.58 0.31 -1.26 -4.78 118.33 122.71 1acp n VAL 65 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 1acp n VAL 65 Cb 0.00 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 33.26 1acp n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1acp n GLN 66 N 0.00 0.08 -0.09 5.55 6.02 -1.26 -0.83 117.38 126.85 1acp n GLN 66 Ca 0.00 0.56 -0.17 0.00 -0.01 0.00 0.00 57.00 57.38 1acp n GLN 66 Cb 0.00 -2.10 -0.09 0.00 1.02 0.00 0.00 30.24 29.07 1acp n GLN 66 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1acp h ALA 67 N 1.12 0.18 -0.90 -1.58 0.00 -1.90 0.37 119.26 116.54 1acp h ALA 67 Ca 0.00 -0.98 0.13 0.00 0.00 0.00 0.00 54.91 54.06 1acp h ALA 67 Cb 0.65 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1acp h ALA 67 CO 0.00 0.61 0.52 0.00 0.00 0.00 0.00 179.25 180.39 1acp h ALA 68 N -0.62 1.36 0.02 0.00 0.00 -1.70 0.57 119.26 118.89 1acp h ALA 68 Ca -0.24 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1acp h ALA 68 Cb 1.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1acp h ALA 68 CO -0.14 0.07 -0.01 0.82 0.00 0.00 0.00 179.25 179.98 1acp h ILE 69 N 0.80 0.00 -1.16 0.00 2.04 -1.06 0.44 117.51 118.58 1acp h ILE 69 Ca 0.47 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.66 1acp h ILE 69 Cb 0.54 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 1acp h ILE 69 CO -0.30 0.00 0.77 -0.78 0.00 0.00 0.00 178.15 177.83 1acp h ASP 70 N -0.03 0.30 0.65 1.72 3.58 -0.13 0.40 116.42 122.90 1acp h ASP 70 Ca -0.00 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1acp h ASP 70 Cb 0.02 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1acp h ASP 70 CO 0.00 0.00 -0.50 0.22 -2.88 0.00 0.00 179.24 176.08 1acp h TYR 71 N 0.23 -1.37 -0.97 0.28 3.20 0.53 0.31 116.97 119.18 1acp h TYR 71 Ca 0.65 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.57 1acp h TYR 71 Cb 1.96 0.51 -0.06 0.00 1.54 0.00 0.00 36.73 40.68 1acp h TYR 71 CO -0.00 -0.71 0.63 0.82 -1.64 0.00 0.00 178.16 177.26 1acp h ILE 72 N -1.11 1.13 -0.01 1.81 1.08 0.25 0.98 117.51 121.63 1acp h ILE 72 Ca -0.08 -0.41 0.01 0.00 -0.39 0.00 0.00 64.86 63.99 1acp h ILE 72 Cb 0.93 -0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.48 1acp h ILE 72 CO 0.02 0.22 -0.29 0.78 -0.69 0.00 0.00 178.15 178.19 1acp h ASN 73 N 1.19 -0.89 -0.55 1.72 4.21 -0.23 0.35 115.58 121.38 1acp h ASN 73 Ca 0.40 0.10 0.16 0.00 1.21 0.00 0.00 56.30 58.17 1acp h ASN 73 Cb 0.07 0.34 -0.02 0.00 -1.12 0.00 0.00 38.32 37.59 1acp h ASN 73 CO -0.14 -0.28 0.46 1.23 -1.29 0.00 0.00 177.43 177.41 1acp h GLY 74 N -0.35 0.00 0.00 2.83 0.00 0.74 -3.22 103.07 103.07 1acp h GLY 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1acp h GLY 74 CO -0.20 0.00 0.00 1.57 0.00 0.00 0.00 176.54 177.91 1acp n HIS 75 N -4.06 0.00 0.00 5.60 -0.00 0.33 -5.07 115.22 112.02 1acp n HIS 75 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1acp n HIS 75 Cb 0.68 -0.31 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 1acp n HIS 75 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1acp n GLN 76 N -1.42 0.00 0.00 1.57 -0.06 0.12 -5.02 117.38 112.57 1acp n GLN 76 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1acp n GLN 76 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1acp n GLN 76 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86