#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imp n GLU 2 N 0.00 0.00 0.00 0.03 2.13 -1.26 -4.66 120.64 116.89 1imp n GLU 2 Ca 0.00 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1imp n GLU 2 Cb 0.00 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1imp n GLU 2 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1imp n LEU 3 N -1.88 0.00 0.00 4.31 4.77 -1.26 -5.09 117.00 117.86 1imp n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1imp n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1imp n LEU 3 CO 0.00 -0.02 0.00 0.29 -1.33 0.00 0.00 177.39 176.33 1imp n LYS 4 N 0.00 2.61 -0.13 3.23 5.02 -1.26 -5.05 118.16 122.57 1imp n LYS 4 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1imp n LYS 4 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1imp n LYS 4 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1imp n HIS 5 N 0.00 0.28 -2.78 2.13 -0.00 -1.26 -4.69 115.22 108.89 1imp n HIS 5 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 1imp n HIS 5 Cb 0.00 -1.02 0.00 0.00 -0.00 0.00 0.00 29.99 28.97 1imp n HIS 5 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1imp n SER 6 N -4.30 0.00 0.19 0.26 7.64 -1.26 -4.92 113.62 111.22 1imp n SER 6 Ca -0.48 -0.16 0.13 0.00 1.01 0.00 0.00 58.87 59.36 1imp n SER 6 Cb 0.83 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.71 1imp n SER 6 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1imp h ILE 7 N 0.16 0.00 -0.12 0.44 2.10 -1.74 -0.90 117.51 117.45 1imp h ILE 7 Ca 0.00 -0.00 -0.12 0.00 1.08 0.00 0.00 64.86 65.82 1imp h ILE 7 Cb 0.00 0.56 -0.01 0.00 -1.09 0.00 0.00 36.82 36.28 1imp h ILE 7 CO 0.00 0.00 -0.46 -1.28 -1.08 0.00 0.00 178.15 175.33 1imp h SER 8 N 0.00 0.31 1.54 2.19 0.87 -1.84 -2.65 113.55 113.98 1imp h SER 8 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1imp h SER 8 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1imp h SER 8 CO 0.00 0.73 0.00 -0.78 -0.53 0.00 0.00 176.83 176.25 1imp h ASP 9 N 0.24 0.00 -3.32 6.23 1.82 -1.47 -2.73 116.42 117.19 1imp h ASP 9 Ca 0.02 0.00 -0.66 0.00 -0.39 0.00 0.00 57.03 55.99 1imp h ASP 9 Cb 0.91 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 40.75 1imp h ASP 9 CO 0.07 0.00 -0.62 -0.31 -1.61 0.00 0.00 179.24 176.77 1imp s TYR 10 N -3.17 3.14 1.12 0.28 2.02 -1.00 -4.80 117.35 114.96 1imp s TYR 10 Ca 0.09 0.09 -0.19 0.00 -0.37 0.00 0.00 57.07 56.69 1imp s TYR 10 Cb 0.10 -1.85 0.27 0.00 -0.40 0.00 0.00 41.96 40.07 1imp s TYR 10 CO 0.60 0.34 1.22 0.95 -1.57 0.00 0.00 175.55 177.09 1imp s THR 11 N -0.51 1.74 0.04 -0.71 -4.23 -1.26 -1.91 115.64 108.80 1imp s THR 11 Ca 0.09 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 60.92 1imp s THR 11 Cb -0.12 -2.72 0.35 0.00 1.34 0.00 0.00 72.50 71.35 1imp s THR 11 CO 0.02 0.00 1.96 1.05 -0.54 0.00 0.00 174.62 177.11 1imp h GLU 12 N -2.26 0.00 0.01 3.99 -0.00 -1.88 -1.55 114.58 112.88 1imp h GLU 12 Ca -0.43 0.00 -0.40 0.00 -0.00 0.00 0.00 59.36 58.53 1imp h GLU 12 Cb 1.26 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.95 1imp h GLU 12 CO 0.31 0.00 -2.22 0.00 -0.00 0.00 0.00 179.01 177.10 1imp n ALA 13 N -1.97 1.12 -0.21 1.06 0.00 -1.26 -2.93 120.51 116.32 1imp n ALA 13 Ca -0.00 -0.94 0.08 0.00 0.00 0.00 0.00 53.44 52.58 1imp n ALA 13 Cb 0.20 -0.11 0.35 0.00 0.00 0.00 0.00 19.45 19.89 1imp n ALA 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1imp h GLU 14 N -0.78 0.74 -0.04 0.00 5.08 -1.88 0.66 114.58 118.36 1imp h GLU 14 Ca -0.59 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.67 1imp h GLU 14 Cb 1.62 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1imp h GLU 14 CO -0.30 0.49 -0.18 0.35 -1.00 0.00 0.00 179.01 178.37 1imp h PHE 15 N 0.76 0.27 -0.64 4.33 3.57 -1.46 -2.78 116.94 120.99 1imp h PHE 15 Ca 0.35 -0.11 0.18 0.00 3.53 0.00 0.00 57.97 61.92 1imp h PHE 15 Cb 0.36 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1imp h PHE 15 CO -0.00 0.81 0.54 1.25 -2.23 0.00 0.00 178.31 178.68 1imp h LEU 16 N -0.36 0.00 -0.31 0.59 6.46 -1.14 0.43 115.31 120.98 1imp h LEU 16 Ca -0.01 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.66 1imp h LEU 16 Cb 0.83 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1imp h LEU 16 CO 0.04 0.00 -0.17 -0.61 -0.62 0.00 0.00 178.44 177.08 1imp h GLN 17 N 0.00 0.66 0.55 1.25 -0.00 -0.64 -2.45 115.11 114.48 1imp h GLN 17 Ca 0.30 -0.30 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1imp h GLN 17 Cb 1.38 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.83 1imp h GLN 17 CO -0.00 0.89 -0.48 1.25 0.00 0.00 0.00 178.83 180.49 1imp h LEU 18 N 0.42 -1.29 -1.74 -2.39 5.85 -0.01 0.96 115.31 117.10 1imp h LEU 18 Ca 0.07 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1imp h LEU 18 Cb 0.70 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1imp h LEU 18 CO 0.05 -0.66 0.43 0.58 -0.34 0.00 0.00 178.44 178.50 1imp h VAL 19 N -1.01 0.02 0.01 1.05 2.07 -1.46 0.05 116.25 116.98 1imp h VAL 19 Ca -0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1imp h VAL 19 Cb 0.85 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1imp h VAL 19 CO -0.02 0.00 -0.00 0.74 0.02 0.00 0.00 177.57 178.30 1imp h THR 20 N 0.00 1.61 -0.01 2.57 2.02 -0.34 -1.21 112.91 117.55 1imp h THR 20 Ca 0.01 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.25 1imp h THR 20 Cb 0.87 2.92 -0.00 0.00 -1.74 0.00 0.00 68.15 70.20 1imp h THR 20 CO -0.00 0.50 0.14 0.74 0.37 0.00 0.00 175.52 177.27 1imp h THR 21 N -0.86 0.03 0.00 3.16 2.02 -0.07 0.41 112.91 117.61 1imp h THR 21 Ca -0.00 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.95 1imp h THR 21 Cb 0.82 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1imp h THR 21 CO 0.00 0.00 -1.25 -0.38 0.37 0.00 0.00 175.52 174.26 1imp n ILE 22 N -3.04 1.53 1.04 3.11 5.41 -1.03 -2.18 119.36 124.20 1imp n ILE 22 Ca -0.02 -0.02 0.10 0.00 1.00 0.00 0.00 62.75 63.81 1imp n ILE 22 Cb 0.20 -2.06 0.54 0.00 -0.71 0.00 0.00 39.64 37.62 1imp n ILE 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1imp n ASN 24 N -1.23 0.79 -3.50 0.00 5.03 0.14 -4.87 115.26 111.62 1imp n ASN 24 Ca 0.11 -0.55 -0.20 0.00 0.87 0.00 0.00 54.58 54.81 1imp n ASN 24 Cb 0.15 1.05 0.06 0.00 -1.02 0.00 0.00 39.78 40.01 1imp n ASN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1imp n ALA 25 N -1.24 -2.22 0.96 5.41 0.00 -0.93 -4.85 120.51 117.64 1imp n ALA 25 Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1imp n ALA 25 Cb 0.11 -3.43 0.13 0.00 0.00 0.00 0.00 19.45 16.26 1imp n ALA 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1imp n ASP 26 N -3.07 1.74 -4.76 0.00 2.03 -0.94 -4.81 116.55 106.74 1imp n ASP 26 Ca -0.21 -2.06 -0.36 0.00 0.52 0.00 0.00 54.79 52.69 1imp n ASP 26 Cb 0.65 -0.25 -0.08 0.00 -0.72 0.00 0.00 41.12 40.71 1imp n ASP 26 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1imp s THR 27 N -1.63 4.82 -0.06 5.18 -4.23 -1.26 -4.98 115.64 113.48 1imp s THR 27 Ca 0.19 -0.05 -0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1imp s THR 27 Cb 0.11 -3.07 0.05 0.00 1.34 0.00 0.00 72.50 70.93 1imp s THR 27 CO 0.12 0.61 1.85 -1.54 -0.54 0.00 0.00 174.62 175.11 1imp n SER 28 N 2.13 5.15 -3.64 3.99 3.41 -1.26 -4.71 113.62 118.70 1imp n SER 28 Ca -0.19 -2.48 -0.01 0.00 -0.26 0.00 0.00 58.87 55.93 1imp n SER 28 Cb 0.54 -1.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 1imp n SER 28 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1imp s SER 29 N 1.48 -0.43 0.44 4.04 0.01 -1.26 -5.02 113.70 112.96 1imp s SER 29 Ca 0.06 0.69 0.14 0.00 1.31 0.00 0.00 55.95 58.16 1imp s SER 29 Cb 0.05 1.19 0.97 0.00 0.21 0.00 0.00 66.02 68.44 1imp s SER 29 CO 0.00 -0.11 1.97 1.05 0.41 0.00 0.00 173.24 176.56 1imp h GLU 30 N 5.96 0.00 -0.02 12.44 4.11 -2.00 -1.65 114.58 133.42 1imp h GLU 30 Ca -0.27 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.10 1imp h GLU 30 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1imp h GLU 30 CO 0.20 0.21 -0.26 1.49 0.07 0.00 0.00 179.01 180.72 1imp h GLU 31 N 0.00 0.04 0.00 1.06 4.81 -1.97 -1.29 114.58 117.22 1imp h GLU 31 Ca -0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1imp h GLU 31 Cb 0.37 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1imp h GLU 31 CO 0.03 0.30 -0.25 1.49 -0.73 0.00 0.00 179.01 179.84 1imp h GLU 32 N 0.03 0.00 0.00 1.92 4.22 -1.71 -1.87 114.58 117.18 1imp h GLU 32 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 1imp h GLU 32 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1imp h GLU 32 CO 0.03 0.25 -0.40 1.25 -2.18 0.00 0.00 179.01 177.97 1imp h LEU 33 N 0.00 0.00 0.00 1.64 7.12 -0.95 -2.21 115.31 120.91 1imp h LEU 33 Ca -0.00 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.94 1imp h LEU 33 Cb 1.17 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.29 1imp h LEU 33 CO 0.03 0.40 -0.43 1.62 -0.13 0.00 0.00 178.44 179.93 1imp h VAL 34 N 0.00 0.88 -0.01 1.05 3.04 -1.26 -2.79 116.25 117.15 1imp h VAL 34 Ca -0.00 -1.80 0.00 0.00 -1.01 0.00 0.00 66.70 63.89 1imp h VAL 34 Cb 1.26 1.80 -0.00 0.00 -2.01 0.00 0.00 31.29 32.34 1imp h VAL 34 CO 0.05 0.30 0.32 0.50 -1.01 0.00 0.00 177.57 177.73 1imp h LYS 35 N -1.00 0.00 -0.01 4.17 3.64 -1.42 0.41 116.57 122.36 1imp h LYS 35 Ca -0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1imp h LYS 35 Cb 0.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1imp h LYS 35 CO -0.06 0.00 -0.07 1.25 -2.27 0.00 0.00 179.45 178.30 1imp h LEU 36 N 0.00 0.07 0.33 5.20 5.85 -1.38 -2.17 115.31 123.20 1imp h LEU 36 Ca 0.00 -0.73 -0.02 0.00 0.84 0.00 0.00 57.88 57.97 1imp h LEU 36 Cb 0.65 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1imp h LEU 36 CO -0.00 0.79 -0.16 1.62 -0.34 0.00 0.00 178.44 180.36 1imp h VAL 37 N -0.65 0.68 -0.97 1.05 3.04 -0.03 -1.33 116.25 118.05 1imp h VAL 37 Ca -0.01 -0.48 0.22 0.00 -1.01 0.00 0.00 66.70 65.42 1imp h VAL 37 Cb 0.80 0.93 -0.12 0.00 -2.01 0.00 0.00 31.29 30.89 1imp h VAL 37 CO 0.01 0.09 0.55 0.74 -1.01 0.00 0.00 177.57 177.95 1imp h THR 38 N -0.71 0.59 -0.48 3.17 2.02 -1.02 0.86 112.91 117.35 1imp h THR 38 Ca -0.04 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 66.97 1imp h THR 38 Cb 0.49 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1imp h THR 38 CO 0.07 0.11 0.24 -0.74 0.37 0.00 0.00 175.52 175.57 1imp h HIS 39 N 0.60 0.43 -0.83 3.16 6.17 -0.96 -0.03 115.15 123.70 1imp h HIS 39 Ca 0.59 0.02 0.14 0.00 0.71 0.00 0.00 60.37 61.83 1imp h HIS 39 Cb 1.05 -0.12 -0.09 0.00 2.52 0.00 0.00 27.41 30.77 1imp h HIS 39 CO -0.04 0.21 0.42 0.35 0.71 0.00 0.00 177.93 179.58 1imp h PHE 40 N 0.47 0.73 0.18 5.26 3.04 0.19 -1.41 116.94 125.39 1imp h PHE 40 Ca 0.21 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.21 1imp h PHE 40 Cb 0.13 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 1imp h PHE 40 CO -0.11 0.18 -0.23 0.93 -2.02 0.00 0.00 178.31 177.06 1imp h GLU 41 N 0.61 -0.45 0.00 1.11 5.08 0.01 -0.73 114.58 120.22 1imp h GLU 41 Ca 0.45 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1imp h GLU 41 Cb 0.62 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1imp h GLU 41 CO -0.36 -0.30 0.00 -1.91 -1.00 0.00 0.00 179.01 175.44 1imp n GLU 42 N -5.36 0.11 -0.02 2.33 2.13 -0.62 -0.50 120.64 118.71 1imp n GLU 42 Ca -0.07 0.22 -0.01 0.00 0.66 0.00 0.00 57.16 57.96 1imp n GLU 42 Cb 0.27 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.47 1imp n GLU 42 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1imp h MET 43 N 0.00 0.00 -0.27 5.31 2.86 -0.27 -3.39 114.93 119.17 1imp h MET 43 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1imp h MET 43 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1imp h MET 43 CO 0.00 0.00 0.00 -2.37 1.06 0.00 0.00 176.91 175.60 1imp n THR 44 N -3.08 0.36 -1.50 2.22 5.66 -1.04 -2.38 114.28 114.51 1imp n THR 44 Ca -0.02 -0.45 -0.09 0.00 -3.05 0.00 0.00 64.05 60.44 1imp n THR 44 Cb 0.07 0.39 -0.03 0.00 -1.55 0.00 0.00 70.33 69.21 1imp n THR 44 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1imp n GLU 45 N 0.57 -1.45 -1.65 1.09 1.02 0.34 -4.83 120.64 115.72 1imp n GLU 45 Ca 0.15 0.49 -0.40 0.00 -0.02 0.00 0.00 57.16 57.39 1imp n GLU 45 Cb 0.36 -4.74 0.03 0.00 -0.02 0.00 0.00 31.44 27.07 1imp n GLU 45 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1imp n HIS 46 N -1.90 1.49 -0.03 -0.32 -0.00 -1.25 -4.92 115.22 108.30 1imp n HIS 46 Ca -0.09 0.49 -0.13 0.00 0.46 0.00 0.00 57.72 58.45 1imp n HIS 46 Cb 0.35 -2.26 -0.10 0.00 -0.12 0.00 0.00 29.99 27.85 1imp n HIS 46 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1imp h PRO 47 N 1.41 0.05 -0.39 1.57 0.13 -1.95 -3.06 132.00 129.76 1imp h PRO 47 Ca -0.47 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1imp h PRO 47 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1imp h PRO 47 CO 0.56 0.60 0.09 0.66 -0.23 0.00 0.00 178.00 179.68 1imp h SER 48 N -0.50 0.53 0.00 1.44 4.64 -1.99 -3.46 113.55 114.22 1imp h SER 48 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1imp h SER 48 Cb 0.60 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1imp h SER 48 CO 0.01 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 1imp n GLY 49 N -1.02 2.59 0.01 -0.77 0.00 -1.16 -0.99 105.19 103.84 1imp n GLY 49 Ca 0.02 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1imp n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1imp n SER 50 N 10.60 0.01 0.08 1.61 3.41 -1.26 -2.86 113.62 125.20 1imp n SER 50 Ca 0.00 -1.44 -0.19 0.00 -0.26 0.00 0.00 58.87 56.99 1imp n SER 50 Cb 0.00 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 63.80 1imp n SER 50 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1imp h ASP 51 N 0.00 0.49 -0.01 4.04 1.82 -1.40 0.26 116.42 121.62 1imp h ASP 51 Ca 0.00 -0.65 0.00 0.00 -0.39 0.00 0.00 57.03 55.99 1imp h ASP 51 Cb 0.01 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 39.86 1imp h ASP 51 CO 0.00 1.54 0.20 -0.07 -1.61 0.00 0.00 179.24 179.30 1imp h LEU 52 N 0.08 0.00 0.00 2.28 4.07 -1.74 1.88 115.31 121.88 1imp h LEU 52 Ca -0.26 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.46 1imp h LEU 52 Cb 2.05 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.74 1imp h LEU 52 CO 0.18 0.00 -1.93 -0.38 -1.08 0.00 0.00 178.44 175.23 1imp n ILE 53 N -3.02 0.93 -0.47 1.22 5.41 -1.22 -4.41 119.36 117.80 1imp n ILE 53 Ca -0.02 -0.46 -0.01 0.00 1.00 0.00 0.00 62.75 63.26 1imp n ILE 53 Cb 0.26 -0.88 0.26 0.00 -0.71 0.00 0.00 39.64 38.58 1imp n ILE 53 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1imp n TYR 54 N -2.74 1.75 -2.83 1.39 4.02 0.08 -4.42 117.16 114.40 1imp n TYR 54 Ca -0.26 -0.79 -0.11 0.00 -0.01 0.00 0.00 57.90 56.74 1imp n TYR 54 Cb 0.87 -0.50 0.06 0.00 -0.02 0.00 0.00 39.34 39.75 1imp n TYR 54 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1imp n TYR 55 N 0.16 -2.24 -2.75 -0.72 9.36 0.62 -4.86 117.16 116.73 1imp n TYR 55 Ca 0.27 -2.48 -0.39 0.00 3.32 0.00 0.00 57.90 58.62 1imp n TYR 55 Cb 1.07 1.18 -0.06 0.00 -0.63 0.00 0.00 39.34 40.89 1imp n TYR 55 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1imp s PRO 56 N -0.28 4.80 0.86 2.98 0.04 -1.26 -4.76 135.00 137.38 1imp s PRO 56 Ca 0.27 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 1imp s PRO 56 Cb 0.30 -3.18 -0.11 0.00 0.04 0.00 0.00 34.50 31.55 1imp s PRO 56 CO -0.07 0.46 -0.32 1.17 0.04 0.00 0.00 177.00 178.29 1imp n LYS 57 N 1.29 -0.01 -2.60 4.56 4.81 -1.26 -4.73 118.16 120.23 1imp n LYS 57 Ca -0.01 0.01 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1imp n LYS 57 Cb 0.48 -1.24 -0.01 0.00 0.02 0.00 0.00 35.03 34.27 1imp n LYS 57 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1imp s GLU 58 N -2.16 3.82 0.00 1.64 -6.30 -1.26 -2.78 118.70 111.66 1imp s GLU 58 Ca 0.49 -1.66 0.00 0.00 -2.50 0.00 0.00 54.97 51.30 1imp s GLU 58 Cb -0.27 -5.42 0.00 0.00 0.00 0.00 0.00 34.13 28.44 1imp s GLU 58 CO 0.74 -2.20 0.00 0.41 0.02 0.00 0.00 175.26 174.23 1imp n GLY 59 N 5.95 0.58 0.00 -1.50 0.00 -1.26 -5.12 105.19 103.83 1imp n GLY 59 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1imp n GLY 59 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1imp n ASP 60 N 0.00 0.00 -3.84 1.61 -0.08 -1.12 -5.11 116.55 108.01 1imp n ASP 60 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 1imp n ASP 60 Cb 0.00 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.31 1imp n ASP 60 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1imp s ASP 61 N -1.00 0.04 -0.19 1.67 1.01 -1.26 -4.96 116.67 111.98 1imp s ASP 61 Ca 0.00 0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.25 1imp s ASP 61 Cb 0.00 -0.03 0.05 0.00 1.01 0.00 0.00 42.92 43.96 1imp s ASP 61 CO 0.00 -0.04 2.37 -0.67 0.21 0.00 0.00 175.17 177.04 1imp n ASP 62 N 3.41 5.94 -4.69 0.27 -0.08 -1.26 -4.88 116.55 115.26 1imp n ASP 62 Ca -0.17 -2.80 -0.30 0.00 -1.51 0.00 0.00 54.79 50.01 1imp n ASP 62 Cb 0.57 -1.16 0.15 0.00 2.34 0.00 0.00 41.12 43.02 1imp n ASP 62 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1imp s SER 63 N 1.04 3.24 -0.05 1.67 0.01 -1.26 -4.92 113.70 113.43 1imp s SER 63 Ca 0.31 1.78 -0.03 0.00 1.31 0.00 0.00 55.95 59.32 1imp s SER 63 Cb 0.20 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 1imp s SER 63 CO -0.04 -2.83 0.16 1.55 0.41 0.00 0.00 173.24 172.50 1imp h PRO 64 N -1.68 -0.10 -1.28 12.44 0.13 -1.89 -3.28 132.00 136.34 1imp h PRO 64 Ca -0.48 0.01 0.43 0.00 -0.87 0.00 0.00 66.00 65.09 1imp h PRO 64 Cb 1.27 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.29 1imp h PRO 64 CO 0.49 -0.07 0.81 1.03 -0.23 0.00 0.00 178.00 180.04 1imp h SER 65 N -0.69 0.26 0.42 1.44 0.87 -1.90 0.21 113.55 114.16 1imp h SER 65 Ca -0.01 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1imp h SER 65 Cb 0.08 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1imp h SER 65 CO 0.02 -0.21 -0.21 1.23 -0.53 0.00 0.00 176.83 177.13 1imp h GLY 66 N 0.08 -0.60 1.81 5.77 0.00 -1.95 0.37 103.07 108.55 1imp h GLY 66 Ca 0.82 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 48.37 1imp h GLY 66 CO -0.47 -0.22 0.06 -2.22 0.00 0.00 0.00 176.54 173.69 1imp h ILE 67 N -0.57 1.09 0.00 2.60 5.03 -0.69 0.15 117.51 125.11 1imp h ILE 67 Ca -0.05 -0.28 -0.03 0.00 -0.12 0.00 0.00 64.86 64.38 1imp h ILE 67 Cb 0.45 0.88 -0.00 0.00 -3.03 0.00 0.00 36.82 35.12 1imp h ILE 67 CO 0.08 0.10 -0.13 0.58 -0.68 0.00 0.00 178.15 178.11 1imp h VAL 68 N 0.26 0.24 0.05 1.67 2.07 -0.74 -2.55 116.25 117.25 1imp h VAL 68 Ca 0.07 -1.17 -0.23 0.00 0.82 0.00 0.00 66.70 66.18 1imp h VAL 68 Cb 0.08 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1imp h VAL 68 CO -0.01 0.12 -1.08 -1.13 0.02 0.00 0.00 177.57 175.50 1imp h ASN 69 N 0.00 0.20 -0.16 0.57 -0.73 0.24 -1.31 115.58 114.38 1imp h ASN 69 Ca -0.00 -0.21 -0.19 0.00 1.87 0.00 0.00 56.30 57.78 1imp h ASN 69 Cb 0.96 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1imp h ASN 69 CO 0.02 1.14 -0.60 0.74 -0.37 0.00 0.00 177.43 178.36 1imp h THR 70 N 0.04 1.29 -0.02 -3.57 2.02 -0.92 -3.00 112.91 108.75 1imp h THR 70 Ca -0.06 -1.81 -0.03 0.00 0.77 0.00 0.00 66.41 65.28 1imp h THR 70 Cb 1.81 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.97 1imp h THR 70 CO 0.16 0.58 -0.11 1.62 0.37 0.00 0.00 175.52 178.14 1imp h VAL 71 N 0.58 1.49 -1.08 3.16 3.04 -1.48 0.46 116.25 122.41 1imp h VAL 71 Ca -0.00 -1.61 0.35 0.00 -1.01 0.00 0.00 66.70 64.43 1imp h VAL 71 Cb 1.19 2.49 -0.14 0.00 -2.01 0.00 0.00 31.29 32.83 1imp h VAL 71 CO 0.12 0.43 0.64 0.11 -1.01 0.00 0.00 177.57 177.87 1imp h LYS 72 N -0.49 0.25 0.00 4.17 1.57 -1.27 1.09 116.57 121.89 1imp h LYS 72 Ca -0.01 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.54 1imp h LYS 72 Cb 0.76 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 1imp h LYS 72 CO 0.02 0.16 -1.32 1.96 -0.57 0.00 0.00 179.45 179.71 1imp h GLN 73 N 0.25 0.00 0.60 3.15 4.20 -1.44 -3.26 115.11 118.61 1imp h GLN 73 Ca 0.75 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.43 1imp h GLN 73 Cb 1.91 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.69 1imp h GLN 73 CO -0.54 0.57 -0.29 2.35 -0.67 0.00 0.00 178.83 180.25 1imp h TRP 74 N 0.00 -0.74 -0.12 2.96 7.01 0.34 -2.26 115.95 123.14 1imp h TRP 74 Ca -0.15 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 60.85 1imp h TRP 74 Cb 1.77 0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 29.06 1imp h TRP 74 CO 0.00 -0.44 -0.03 0.00 -2.79 0.00 0.00 178.44 175.18 1imp h ARG 75 N -0.86 0.00 -0.02 2.65 2.47 -1.23 0.11 114.38 117.51 1imp h ARG 75 Ca -0.08 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1imp h ARG 75 Cb 0.64 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1imp h ARG 75 CO 0.13 0.00 0.18 0.00 0.56 0.00 0.00 179.97 180.85 1imp h ALA 76 N 1.12 1.23 0.00 0.04 0.00 -1.58 1.41 119.26 121.48 1imp h ALA 76 Ca 0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1imp h ALA 76 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1imp h ALA 76 CO -0.13 -0.19 -0.48 0.00 0.00 0.00 0.00 179.25 178.46 1imp h ALA 77 N 1.65 0.09 0.00 0.00 0.00 -0.28 -3.28 119.26 117.44 1imp h ALA 77 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1imp h ALA 77 Cb 0.37 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1imp h ALA 77 CO -0.00 0.29 0.00 0.09 0.00 0.00 0.00 179.25 179.63 1imp n ASN 78 N -4.57 0.00 -3.87 0.00 3.02 0.06 -4.87 115.26 105.03 1imp n ASN 78 Ca -0.16 -1.66 -0.28 0.00 -0.03 0.00 0.00 54.58 52.46 1imp n ASN 78 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1imp n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1imp n GLY 79 N 0.65 -0.45 0.00 7.41 0.00 0.47 -4.95 105.19 108.32 1imp n GLY 79 Ca 0.08 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1imp n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1imp n LYS 80 N -4.36 2.99 0.01 1.61 4.76 -0.43 -4.94 118.16 117.81 1imp n LYS 80 Ca -0.25 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.31 1imp n LYS 80 Cb 0.66 0.00 0.17 0.00 -1.84 0.00 0.00 35.03 34.02 1imp n LYS 80 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1imp n SER 81 N 0.00 0.59 -1.10 4.39 7.64 -1.26 -4.97 113.62 118.91 1imp n SER 81 Ca 0.00 -0.25 0.15 0.00 1.01 0.00 0.00 58.87 59.78 1imp n SER 81 Cb 0.00 0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1imp n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1imp n GLY 82 N 1.45 -1.44 3.89 0.23 0.00 -1.26 -4.74 105.19 103.33 1imp n GLY 82 Ca 0.04 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 1imp n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1imp s PHE 83 N -1.96 3.41 0.83 1.61 0.40 -1.25 -3.26 117.98 117.75 1imp s PHE 83 Ca 0.00 0.96 -0.11 0.00 -0.60 0.00 0.00 56.93 57.19 1imp s PHE 83 Cb 0.00 -2.80 0.17 0.00 0.51 0.00 0.00 43.02 40.90 1imp s PHE 83 CO 0.00 -0.85 0.38 0.36 0.70 0.00 0.00 175.22 175.80 1imp n LYS 84 N -2.74 -1.40 -2.88 0.44 2.85 -0.80 -4.84 118.16 108.79 1imp n LYS 84 Ca 0.05 -0.63 -0.21 0.00 -1.05 0.00 0.00 58.31 56.47 1imp n LYS 84 Cb 0.56 -1.20 0.08 0.00 -0.65 0.00 0.00 35.03 33.83 1imp n LYS 84 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1imp s GLN 85 N -3.25 2.01 0.00 -1.58 0.74 -1.26 -4.69 119.66 111.63 1imp s GLN 85 Ca 0.29 -1.51 0.00 0.00 0.05 0.00 0.00 55.36 54.19 1imp s GLN 85 Cb -0.05 -2.53 0.00 0.00 1.10 0.00 0.00 33.01 31.53 1imp s GLN 85 CO 0.24 -1.14 0.00 0.41 -0.55 0.00 0.00 175.29 174.26