#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 0.05 -0.08 2.12 2.13 -1.26 -4.98 120.64 118.62 1imp n GLU 2 Ca 0.00 -0.59 0.10 0.00 0.66 0.00 0.00 57.16 57.33 1imp n GLU 2 Cb 0.00 -0.10 0.36 0.00 0.27 0.00 0.00 31.44 31.97 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 1.50 1.51 0.00 4.31 7.99 -1.26 -4.98 117.00 126.08 1imp n LEU 3 Ca 0.01 -0.65 0.00 0.00 -0.01 0.00 0.00 56.01 55.35 1imp n LEU 3 Cb 0.71 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.91 1imp n LEU 3 CO -0.15 0.33 0.00 0.29 -1.51 0.00 0.00 177.39 176.34 1imp n LYS 4 N 0.23 0.00 0.08 3.23 5.02 -1.26 -4.62 118.16 120.85 1imp n LYS 4 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1imp n LYS 4 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 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 14.00 -1.69 -4.04 2.13 -0.00 -1.26 -5.10 115.22 119.25 1imp n HIS 5 Ca 0.00 0.33 -0.11 0.00 0.46 0.00 0.00 57.72 58.40 1imp n HIS 5 Cb 0.00 0.82 -0.04 0.00 -0.12 0.00 0.00 29.99 30.65 1imp n HIS 5 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1imp n SER 6 N -3.01 -0.69 0.31 0.26 7.64 -1.26 -4.80 113.62 112.07 1imp n SER 6 Ca 0.00 -2.36 0.18 0.00 1.01 0.00 0.00 58.87 57.70 1imp n SER 6 Cb 0.00 1.41 1.03 0.00 -1.01 0.00 0.00 64.21 65.63 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 1.70 0.28 -0.89 0.44 2.10 -1.72 -1.65 117.51 117.76 1imp h ILE 7 Ca -0.17 -0.07 0.06 0.00 1.08 0.00 0.00 64.86 65.76 1imp h ILE 7 Cb 0.80 1.05 -0.06 0.00 -1.09 0.00 0.00 36.82 37.52 1imp h ILE 7 CO 0.24 0.01 0.56 -1.28 -1.08 0.00 0.00 178.15 176.60 1imp h SER 8 N 0.00 0.88 1.41 2.19 0.87 -1.80 -0.60 113.55 116.51 1imp h SER 8 Ca -0.00 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 1imp h SER 8 Cb 0.05 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1imp h SER 8 CO 0.00 0.56 -0.53 0.44 -0.53 0.00 0.00 176.83 176.77 1imp h ASP 9 N 1.02 0.00 -3.42 6.23 3.32 -1.61 -0.14 116.42 121.82 1imp h ASP 9 Ca 0.39 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.85 1imp h ASP 9 Cb 0.18 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.64 1imp h ASP 9 CO -0.18 0.53 -0.03 -0.31 -1.72 0.00 0.00 179.24 177.54 1imp s TYR 10 N -2.98 3.42 1.12 4.55 2.02 -0.24 -4.58 117.35 120.65 1imp s TYR 10 Ca 0.03 0.86 -0.18 0.00 -0.37 0.00 0.00 57.07 57.41 1imp s TYR 10 Cb 0.08 -2.67 0.26 0.00 -0.40 0.00 0.00 41.96 39.23 1imp s TYR 10 CO 0.75 -0.04 1.21 0.95 -1.57 0.00 0.00 175.55 176.85 1imp s THR 11 N 1.39 1.75 -0.45 -0.71 -4.23 -1.26 -1.66 115.64 110.47 1imp s THR 11 Ca 0.26 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.02 1imp s THR 11 Cb -0.16 -2.71 0.26 0.00 1.34 0.00 0.00 72.50 71.24 1imp s THR 11 CO 0.10 0.00 1.74 1.05 -0.54 0.00 0.00 174.62 176.97 1imp h GLU 12 N -2.24 0.00 0.01 3.99 -0.00 -1.90 -1.42 114.58 113.01 1imp h GLU 12 Ca -0.44 0.00 -0.41 0.00 -0.00 0.00 0.00 59.36 58.51 1imp h GLU 12 Cb 1.26 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.95 1imp h GLU 12 CO 0.33 0.00 -2.43 0.00 -0.00 0.00 0.00 179.01 176.91 1imp n ALA 13 N -1.80 1.31 -0.07 1.06 0.00 -1.26 -2.76 120.51 116.98 1imp n ALA 13 Ca 0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 53.44 52.40 1imp n ALA 13 Cb 0.25 -0.08 0.27 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.34 0.69 0.01 0.00 5.08 -1.89 -0.08 114.58 118.05 1imp h GLU 14 Ca -0.60 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 57.60 1imp h GLU 14 Cb 1.80 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1imp h GLU 14 CO -0.19 0.61 -0.16 0.35 -1.00 0.00 0.00 179.01 178.62 1imp h PHE 15 N 0.67 0.15 -0.81 4.33 3.57 -1.45 -3.00 116.94 120.40 1imp h PHE 15 Ca 0.16 -0.09 0.24 0.00 3.53 0.00 0.00 57.97 61.81 1imp h PHE 15 Cb 0.22 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1imp h PHE 15 CO 0.01 0.93 0.59 1.25 -2.23 0.00 0.00 178.31 178.86 1imp h LEU 16 N -0.68 0.00 -0.31 0.59 6.46 -1.31 0.44 115.31 120.50 1imp h LEU 16 Ca -0.02 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.64 1imp h LEU 16 Cb 0.98 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 1imp h LEU 16 CO 0.03 0.00 -0.19 1.56 -0.62 0.00 0.00 178.44 179.22 1imp h GLN 17 N 0.00 0.68 0.33 1.25 1.08 -0.92 -2.65 115.11 114.87 1imp h GLN 17 Ca 0.39 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1imp h GLN 17 Cb 1.56 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.95 1imp h GLN 17 CO -0.00 0.91 -0.41 1.25 -0.95 0.00 0.00 178.83 179.63 1imp h LEU 18 N 0.44 -1.14 -1.96 1.46 5.85 0.01 0.46 115.31 120.43 1imp h LEU 18 Ca 0.07 0.11 0.23 0.00 0.84 0.00 0.00 57.88 59.12 1imp h LEU 18 Cb 0.73 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1imp h LEU 18 CO 0.05 -0.54 0.61 0.58 -0.34 0.00 0.00 178.44 178.81 1imp h VAL 19 N -0.78 0.50 0.14 1.05 2.07 -1.44 -0.21 116.25 117.57 1imp h VAL 19 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1imp h VAL 19 Cb 0.72 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1imp h VAL 19 CO -0.11 0.00 -0.07 0.74 0.02 0.00 0.00 177.57 178.15 1imp h THR 20 N 0.00 1.02 -0.16 2.57 2.02 -0.58 -1.57 112.91 116.21 1imp h THR 20 Ca 0.37 -1.02 0.05 0.00 0.77 0.00 0.00 66.41 66.58 1imp h THR 20 Cb 1.59 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.61 1imp h THR 20 CO -0.00 0.23 0.26 0.74 0.37 0.00 0.00 175.52 177.11 1imp h THR 21 N -0.70 0.27 0.00 3.16 2.02 0.04 0.44 112.91 118.14 1imp h THR 21 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1imp h THR 21 Cb 0.51 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1imp h THR 21 CO 0.03 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 175.54 1imp n ILE 22 N -3.46 0.00 0.21 3.11 5.41 -0.77 -2.43 119.36 121.44 1imp n ILE 22 Ca 0.01 0.50 -0.15 0.00 1.00 0.00 0.00 62.75 64.10 1imp n ILE 22 Cb 0.37 -1.49 -0.09 0.00 -0.71 0.00 0.00 39.64 37.72 1imp n ILE 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1imp h ASN 24 N -0.82 0.00 -5.52 0.00 -0.26 -1.12 -3.45 115.58 104.42 1imp h ASN 24 Ca -0.04 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.47 1imp h ASN 24 Cb 0.74 0.00 0.16 0.00 -1.06 0.00 0.00 38.32 38.16 1imp h ASN 24 CO -0.12 0.00 -0.75 0.00 -1.06 0.00 0.00 177.43 175.51 1imp n ALA 25 N -1.94 -2.50 -0.31 -0.83 0.00 0.15 -4.89 120.51 110.20 1imp n ALA 25 Ca 0.02 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1imp n ALA 25 Cb 0.58 -5.02 0.32 0.00 0.00 0.00 0.00 19.45 15.33 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 -2.97 3.98 -4.02 0.00 -0.08 -1.02 -4.94 116.55 107.51 1imp n ASP 26 Ca -0.06 -2.11 -0.30 0.00 -1.51 0.00 0.00 54.79 50.81 1imp n ASP 26 Cb 0.60 -0.50 0.20 0.00 2.34 0.00 0.00 41.12 43.76 1imp n ASP 26 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1imp s THR 27 N -1.26 2.00 -0.75 5.18 -4.23 -1.26 -4.98 115.64 110.34 1imp s THR 27 Ca 0.48 -0.05 0.13 0.00 -1.18 0.00 0.00 61.69 61.08 1imp s THR 27 Cb 0.26 -2.96 0.42 0.00 1.34 0.00 0.00 72.50 71.57 1imp s THR 27 CO 0.30 0.00 1.35 -1.20 -0.54 0.00 0.00 174.62 174.53 1imp n SER 28 N -3.79 3.41 -3.64 3.99 7.64 -1.26 -4.95 113.62 115.01 1imp n SER 28 Ca 0.17 -2.34 -0.07 0.00 1.01 0.00 0.00 58.87 57.64 1imp n SER 28 Cb 0.59 -0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 1imp n SER 28 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1imp s SER 29 N -1.26 -0.49 0.58 6.43 0.01 -1.26 -5.01 113.70 112.71 1imp s SER 29 Ca 0.32 0.88 0.28 0.00 1.31 0.00 0.00 55.95 58.74 1imp s SER 29 Cb 0.21 0.99 1.71 0.00 0.21 0.00 0.00 66.02 69.13 1imp s SER 29 CO 0.15 -0.15 2.18 -0.08 0.41 0.00 0.00 173.24 175.75 1imp h GLU 30 N 4.80 0.00 -0.43 12.44 4.81 -1.99 -0.18 114.58 134.03 1imp h GLU 30 Ca -0.28 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 1imp h GLU 30 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1imp h GLU 30 CO 0.13 0.00 0.06 1.49 -0.73 0.00 0.00 179.01 179.97 1imp h GLU 31 N 0.00 0.66 0.00 1.92 4.22 -2.00 -0.44 114.58 118.94 1imp h GLU 31 Ca 0.04 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1imp h GLU 31 Cb 0.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1imp h GLU 31 CO -0.00 0.63 0.00 0.93 -2.18 0.00 0.00 179.01 178.39 1imp h GLU 32 N 0.64 0.00 0.00 1.92 5.08 -1.43 -1.71 114.58 119.07 1imp h GLU 32 Ca 0.14 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1imp h GLU 32 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1imp h GLU 32 CO 0.00 0.00 -0.38 1.25 -1.00 0.00 0.00 179.01 178.89 1imp h LEU 33 N 0.00 0.00 0.00 1.33 7.12 -0.95 -2.03 115.31 120.78 1imp h LEU 33 Ca 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.89 1imp h LEU 33 Cb 0.71 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.82 1imp h LEU 33 CO 0.00 0.38 -0.83 1.62 -0.13 0.00 0.00 178.44 179.48 1imp h VAL 34 N 0.00 0.60 0.00 1.05 3.04 -1.07 -2.90 116.25 116.97 1imp h VAL 34 Ca -0.00 -1.71 0.00 0.00 -1.01 0.00 0.00 66.70 63.98 1imp h VAL 34 Cb 1.26 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1imp h VAL 34 CO 0.05 0.20 0.04 0.11 -1.01 0.00 0.00 177.57 176.96 1imp h LYS 35 N -1.00 0.00 0.08 4.17 1.79 -1.43 0.16 116.57 120.34 1imp h LYS 35 Ca -0.18 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.14 1imp h LYS 35 Cb 0.93 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.59 1imp h LYS 35 CO -0.11 0.00 -0.65 -0.07 -1.08 0.00 0.00 179.45 177.54 1imp h LEU 36 N 0.00 0.42 0.22 2.94 -0.00 -1.43 -2.75 115.31 114.71 1imp h LEU 36 Ca 0.00 -0.90 -0.01 0.00 -0.00 0.00 0.00 57.88 56.97 1imp h LEU 36 Cb 0.08 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1imp h LEU 36 CO 0.00 1.28 -0.10 1.62 -0.00 0.00 0.00 178.44 181.24 1imp h VAL 37 N -0.37 0.82 -0.99 1.22 3.04 -0.57 -2.37 116.25 117.03 1imp h VAL 37 Ca -0.10 -0.85 0.24 0.00 -1.01 0.00 0.00 66.70 64.97 1imp h VAL 37 Cb 1.46 1.27 -0.12 0.00 -2.01 0.00 0.00 31.29 31.88 1imp h VAL 37 CO 0.12 0.17 0.57 0.74 -1.01 0.00 0.00 177.57 178.16 1imp h THR 38 N -0.76 0.54 -0.46 3.17 2.02 -1.11 0.88 112.91 117.20 1imp h THR 38 Ca -0.03 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 66.99 1imp h THR 38 Cb 0.50 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1imp h THR 38 CO 0.05 0.10 0.24 -0.74 0.37 0.00 0.00 175.52 175.54 1imp h HIS 39 N 0.57 0.44 -0.77 3.16 6.17 -1.30 -0.16 115.15 123.26 1imp h HIS 39 Ca 0.63 0.02 0.16 0.00 0.71 0.00 0.00 60.37 61.89 1imp h HIS 39 Cb 1.17 -0.13 -0.11 0.00 2.52 0.00 0.00 27.41 30.87 1imp h HIS 39 CO -0.02 0.23 0.27 0.35 0.71 0.00 0.00 177.93 179.46 1imp h PHE 40 N 0.48 0.44 0.18 5.26 3.04 0.13 -1.10 116.94 125.37 1imp h PHE 40 Ca 0.20 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.20 1imp h PHE 40 Cb 0.09 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.49 1imp h PHE 40 CO -0.10 -0.02 -0.30 0.93 -2.02 0.00 0.00 178.31 176.80 1imp h GLU 41 N 0.36 -0.54 0.00 1.11 5.08 -0.30 -0.65 114.58 119.64 1imp h GLU 41 Ca 0.44 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1imp h GLU 41 Cb 0.74 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1imp h GLU 41 CO -0.47 -0.36 0.00 -1.91 -1.00 0.00 0.00 179.01 175.27 1imp n GLU 42 N -5.41 0.04 -0.03 2.33 0.00 -0.49 -0.72 120.64 116.36 1imp n GLU 42 Ca -0.07 0.32 -0.02 0.00 0.00 0.00 0.00 57.16 57.39 1imp n GLU 42 Cb 0.32 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.25 1imp n GLU 42 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1imp h MET 43 N 0.00 0.00 -0.01 5.31 2.86 -0.32 -3.41 114.93 119.36 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 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1imp h MET 43 CO 0.00 0.00 -0.06 -2.37 1.06 0.00 0.00 176.91 175.54 1imp n THR 44 N -3.29 0.00 -1.20 2.22 5.66 -0.99 -2.28 114.28 114.39 1imp n THR 44 Ca -0.03 -0.24 -0.09 0.00 -3.05 0.00 0.00 64.05 60.64 1imp n THR 44 Cb 0.10 0.54 -0.04 0.00 -1.55 0.00 0.00 70.33 69.38 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 0.06 -1.68 -1.40 1.09 1.02 0.11 -4.86 120.64 114.98 1imp n GLU 45 Ca 0.17 0.76 -0.41 0.00 -0.02 0.00 0.00 57.16 57.66 1imp n GLU 45 Cb 0.37 -5.03 0.01 0.00 -0.02 0.00 0.00 31.44 26.77 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 -1.96 -1.16 -0.06 -0.32 -0.00 -1.26 -4.86 115.22 105.60 1imp n HIS 46 Ca -0.09 0.58 -0.16 0.00 0.46 0.00 0.00 57.72 58.51 1imp n HIS 46 Cb 0.51 -1.90 -0.05 0.00 -0.12 0.00 0.00 29.99 28.43 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 0.53 0.83 -0.00 1.57 0.13 -1.97 -3.02 132.00 130.07 1imp h PRO 47 Ca -0.40 -0.57 -0.19 0.00 -0.87 0.00 0.00 66.00 63.96 1imp h PRO 47 Cb 1.42 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.62 1imp h PRO 47 CO 0.49 1.20 -0.86 0.77 -0.23 0.00 0.00 178.00 179.37 1imp h SER 48 N 0.60 0.26 0.00 1.44 0.02 -1.98 -3.47 113.55 110.41 1imp h SER 48 Ca -0.01 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1imp h SER 48 Cb 1.22 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1imp h SER 48 CO 0.13 1.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.43 1imp n GLY 49 N 0.83 1.18 0.00 -3.77 0.00 -1.14 -1.23 105.19 101.05 1imp n GLY 49 Ca -0.04 0.40 0.04 0.00 0.00 0.00 0.00 46.02 46.43 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 11.22 0.00 0.07 1.61 3.41 -1.26 -2.73 113.62 125.94 1imp n SER 50 Ca 0.00 -1.27 -0.17 0.00 -0.26 0.00 0.00 58.87 57.17 1imp n SER 50 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.41 -0.73 4.04 3.58 -1.46 -1.19 116.42 121.08 1imp h ASP 51 Ca 0.00 -0.56 0.21 0.00 0.42 0.00 0.00 57.03 57.10 1imp h ASP 51 Cb 0.00 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 1imp h ASP 51 CO 0.00 1.46 0.81 0.25 -2.88 0.00 0.00 179.24 178.89 1imp h LEU 52 N 0.07 0.00 0.00 2.28 5.85 -1.74 3.83 115.31 125.61 1imp h LEU 52 Ca -0.24 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.13 1imp h LEU 52 Cb 2.02 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.99 1imp h LEU 52 CO 0.17 0.00 -2.27 -0.38 -0.34 0.00 0.00 178.44 175.62 1imp n ILE 53 N -3.51 1.26 -0.82 4.05 5.41 -1.22 -4.40 119.36 120.15 1imp n ILE 53 Ca 0.15 -0.44 -0.21 0.00 1.00 0.00 0.00 62.75 63.26 1imp n ILE 53 Cb 1.06 -1.43 0.11 0.00 -0.71 0.00 0.00 39.64 38.66 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 -3.40 2.31 -2.82 1.39 4.01 0.53 -4.39 117.16 114.79 1imp n TYR 54 Ca -0.41 -1.87 -0.11 0.00 -0.16 0.00 0.00 57.90 55.35 1imp n TYR 54 Cb 0.89 -0.93 0.07 0.00 -0.31 0.00 0.00 39.34 39.06 1imp n TYR 54 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1imp n TYR 55 N -0.56 -2.25 -2.73 -0.72 9.36 1.24 -4.74 117.16 116.76 1imp n TYR 55 Ca 0.45 -2.47 -0.42 0.00 3.32 0.00 0.00 57.90 58.78 1imp n TYR 55 Cb 1.09 1.22 -0.03 0.00 -0.63 0.00 0.00 39.34 40.99 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 4.45 1.05 2.98 0.04 -1.26 -4.70 135.00 137.27 1imp s PRO 56 Ca 0.26 1.34 -0.16 0.00 0.04 0.00 0.00 61.00 62.48 1imp s PRO 56 Cb 0.30 -3.52 0.14 0.00 0.04 0.00 0.00 34.50 31.46 1imp s PRO 56 CO -0.06 -0.23 0.15 1.63 0.04 0.00 0.00 177.00 178.53 1imp n LYS 57 N 4.69 -2.05 -3.09 4.56 5.02 -1.26 -4.82 118.16 121.21 1imp n LYS 57 Ca 0.07 -0.60 -0.45 0.00 -2.02 0.00 0.00 58.31 55.31 1imp n LYS 57 Cb 0.49 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 33.97 1imp n LYS 57 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1imp s GLU 58 N -3.42 3.71 0.00 1.97 2.12 -1.26 -3.77 118.70 118.06 1imp s GLU 58 Ca 0.42 -2.20 0.00 0.00 0.36 0.00 0.00 54.97 53.55 1imp s GLU 58 Cb -0.07 -4.75 0.00 0.00 0.26 0.00 0.00 34.13 29.57 1imp s GLU 58 CO 0.44 -1.58 0.00 0.41 -0.54 0.00 0.00 175.26 173.99 1imp n GLY 59 N 4.62 1.06 0.00 -1.50 0.00 -1.26 -5.11 105.19 103.00 1imp n GLY 59 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.96 1.61 -0.08 -1.25 -5.12 116.55 107.76 1imp n ASP 60 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 1imp n ASP 60 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 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 0.20 -0.54 1.67 1.01 -1.26 -4.96 116.67 111.79 1imp s ASP 61 Ca 0.00 -0.41 0.01 0.00 0.71 0.00 0.00 52.55 52.87 1imp s ASP 61 Cb 0.00 0.08 0.51 0.00 1.01 0.00 0.00 42.92 44.52 1imp s ASP 61 CO 0.00 -0.24 1.88 -0.90 0.21 0.00 0.00 175.17 176.11 1imp n ASP 62 N 1.88 5.97 -4.72 0.27 5.68 -1.26 -4.82 116.55 119.55 1imp n ASP 62 Ca -0.22 -3.74 -0.29 0.00 -0.50 0.00 0.00 54.79 50.05 1imp n ASP 62 Cb 0.56 -0.85 0.16 0.00 -1.14 0.00 0.00 41.12 39.85 1imp n ASP 62 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1imp s SER 63 N -1.93 2.96 -0.08 -1.12 0.01 -1.26 -4.97 113.70 107.30 1imp s SER 63 Ca 0.60 1.09 -0.06 0.00 1.31 0.00 0.00 55.95 58.89 1imp s SER 63 Cb 0.48 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.96 1imp s SER 63 CO 0.03 -2.91 0.22 1.55 0.41 0.00 0.00 173.24 172.53 1imp h PRO 64 N -1.74 -0.16 -0.46 12.44 0.13 -1.94 -3.14 132.00 137.12 1imp h PRO 64 Ca -0.53 0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1imp h PRO 64 Cb 1.33 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.42 1imp h PRO 64 CO 0.59 -0.07 -0.02 1.03 -0.23 0.00 0.00 178.00 179.30 1imp h SER 65 N -1.04 -0.23 -0.05 1.44 0.87 -1.92 0.93 113.55 113.55 1imp h SER 65 Ca -0.02 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1imp h SER 65 Cb 0.16 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1imp h SER 65 CO 0.03 -0.08 0.06 1.23 -0.53 0.00 0.00 176.83 177.54 1imp h GLY 66 N 0.09 0.00 1.70 5.77 0.00 -1.95 0.20 103.07 108.88 1imp h GLY 66 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.32 1imp h GLY 66 CO -0.40 0.00 -1.21 -2.22 0.00 0.00 0.00 176.54 172.71 1imp h ILE 67 N 0.00 1.48 0.00 2.60 2.04 -0.82 -2.84 117.51 119.97 1imp h ILE 67 Ca 0.02 -3.19 0.00 0.00 1.00 0.00 0.00 64.86 62.69 1imp h ILE 67 Cb 0.14 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1imp h ILE 67 CO -0.00 0.87 0.00 0.58 0.00 0.00 0.00 178.15 179.60 1imp h VAL 68 N 0.02 0.00 -0.00 1.67 2.07 0.28 -2.71 116.25 117.57 1imp h VAL 68 Ca -0.10 -0.94 -0.20 0.00 0.82 0.00 0.00 66.70 66.28 1imp h VAL 68 Cb 1.86 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 1imp h VAL 68 CO 0.13 0.00 -0.88 -1.13 0.02 0.00 0.00 177.57 175.72 1imp h ASN 69 N 0.00 0.34 0.16 0.57 -0.73 -0.63 -1.14 115.58 114.15 1imp h ASN 69 Ca 0.00 -0.27 -0.01 0.00 1.87 0.00 0.00 56.30 57.90 1imp h ASN 69 Cb 0.95 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.44 1imp h ASN 69 CO 0.00 1.06 -0.08 0.74 -0.37 0.00 0.00 177.43 178.78 1imp h THR 70 N 0.15 0.94 -0.27 -3.57 2.02 -1.24 -2.82 112.91 108.12 1imp h THR 70 Ca -0.05 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1imp h THR 70 Cb 1.50 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 1imp h THR 70 CO 0.14 0.12 0.17 1.62 0.37 0.00 0.00 175.52 177.93 1imp h VAL 71 N -0.46 1.09 -1.45 3.16 3.04 -1.51 -0.38 116.25 119.74 1imp h VAL 71 Ca -0.02 -0.19 0.45 0.00 -1.01 0.00 0.00 66.70 65.93 1imp h VAL 71 Cb 0.36 0.73 -0.11 0.00 -2.01 0.00 0.00 31.29 30.26 1imp h VAL 71 CO 0.04 0.09 0.98 0.50 -1.01 0.00 0.00 177.57 178.17 1imp h LYS 72 N 0.35 0.07 0.03 4.17 3.64 -1.09 0.98 116.57 124.72 1imp h LYS 72 Ca 0.10 -0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.17 1imp h LYS 72 Cb -0.01 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1imp h LYS 72 CO -0.02 0.04 -1.72 1.96 -2.27 0.00 0.00 179.45 177.45 1imp h GLN 73 N 0.07 0.05 -0.78 1.90 4.20 -0.95 -3.34 115.11 116.26 1imp h GLN 73 Ca 0.81 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 59.42 1imp h GLN 73 Cb 2.78 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 30.56 1imp h GLN 73 CO -0.27 0.66 0.46 2.35 -0.67 0.00 0.00 178.83 181.36 1imp h TRP 74 N 0.01 1.04 0.00 2.96 7.01 0.25 -0.75 115.95 126.47 1imp h TRP 74 Ca -0.29 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.70 1imp h TRP 74 Cb 2.01 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 28.73 1imp h TRP 74 CO 0.02 0.70 0.00 0.54 -2.79 0.00 0.00 178.44 176.91 1imp n ARG 75 N -4.37 0.10 -0.00 2.65 5.12 -0.40 -0.45 116.66 119.30 1imp n ARG 75 Ca 0.08 0.18 -0.03 0.00 -1.93 0.00 0.00 57.85 56.15 1imp n ARG 75 Cb 0.08 -1.64 -0.11 0.00 -1.16 0.00 0.00 32.46 29.62 1imp n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1imp n ALA 76 N -1.62 1.81 -0.03 7.54 0.00 -0.37 -0.17 120.51 127.67 1imp n ALA 76 Ca 0.05 -0.70 -0.19 0.00 0.00 0.00 0.00 53.44 52.59 1imp n ALA 76 Cb 0.31 -0.82 -0.13 0.00 0.00 0.00 0.00 19.45 18.81 1imp n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1imp h ALA 77 N 1.29 0.10 0.00 0.00 0.00 -1.14 -3.24 119.26 116.27 1imp h ALA 77 Ca -0.24 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1imp h ALA 77 Cb 1.75 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1imp h ALA 77 CO 0.05 0.50 0.00 0.09 0.00 0.00 0.00 179.25 179.89 1imp n ASN 78 N -4.25 0.00 -4.01 0.00 3.02 0.40 -4.87 115.26 105.56 1imp n ASN 78 Ca -0.21 -1.26 -0.27 0.00 -0.03 0.00 0.00 54.58 52.81 1imp n ASN 78 Cb 0.73 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.87 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 0.73 -0.24 0.00 7.41 0.00 -1.02 -4.94 105.19 107.13 1imp n GLY 79 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.42 0.30 -0.04 1.61 4.76 0.76 -4.92 118.16 116.21 1imp n LYS 80 Ca -0.26 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.29 1imp n LYS 80 Cb 0.66 0.00 0.48 0.00 -1.84 0.00 0.00 35.03 34.33 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 -1.79 1.21 -0.71 4.39 7.64 -1.26 -4.93 113.62 118.17 1imp n SER 81 Ca 0.00 -1.56 0.06 0.00 1.01 0.00 0.00 58.87 58.39 1imp n SER 81 Cb 0.00 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.13 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 1.07 -0.82 2.58 0.23 0.00 -1.26 -4.66 105.19 102.32 1imp n GLY 82 Ca 0.17 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1imp n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1imp n PHE 83 N -1.97 -3.95 0.00 1.61 3.72 -1.26 -2.92 117.46 112.69 1imp n PHE 83 Ca 0.00 -0.78 0.00 0.00 -0.05 0.00 0.00 57.45 56.62 1imp n PHE 83 Cb 0.21 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.05 1imp n PHE 83 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1imp n LYS 84 N -3.02 2.79 -3.74 -1.08 4.81 -0.07 -4.67 118.16 113.18 1imp n LYS 84 Ca 0.11 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.22 1imp n LYS 84 Cb 0.39 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.39 1imp n LYS 84 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1imp s GLN 85 N 0.00 3.59 0.00 1.64 0.74 -1.26 -4.89 119.66 119.48 1imp s GLN 85 Ca 0.00 -0.09 0.32 0.00 0.05 0.00 0.00 55.36 55.64 1imp s GLN 85 Cb 0.00 -3.02 1.87 0.00 1.10 0.00 0.00 33.01 32.96 1imp s GLN 85 CO 0.00 0.60 2.21 0.41 -0.55 0.00 0.00 175.29 177.96