#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr2 n LYS 4 N 0.00 1.69 -0.04 3.23 4.81 -1.26 -4.81 118.16 121.79 1fr2 n LYS 4 Ca 0.00 -0.21 -0.10 0.00 -0.87 0.00 0.00 58.31 57.13 1fr2 n LYS 4 Cb 0.00 -0.65 -0.14 0.00 0.02 0.00 0.00 35.03 34.25 1fr2 n LYS 4 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1fr2 n HIS 5 N -0.30 0.76 -3.72 5.64 -0.00 -1.26 -5.01 115.22 111.33 1fr2 n HIS 5 Ca 0.00 0.27 -0.07 0.00 0.46 0.00 0.00 57.72 58.37 1fr2 n HIS 5 Cb 0.04 -1.14 -0.02 0.00 -0.12 0.00 0.00 29.99 28.75 1fr2 n HIS 5 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1fr2 s SER 6 N -6.01 -0.31 0.41 0.26 1.04 -1.26 -4.96 113.70 102.88 1fr2 s SER 6 Ca -0.07 -0.39 0.19 0.00 0.48 0.00 0.00 55.95 56.15 1fr2 s SER 6 Cb 0.07 0.62 0.90 0.00 0.10 0.00 0.00 66.02 67.72 1fr2 s SER 6 CO 0.82 -1.11 1.86 0.16 0.98 0.00 0.00 173.24 175.95 1fr2 h ILE 7 N 2.00 0.93 0.00 -1.02 -0.00 -1.92 -0.63 117.51 116.87 1fr2 h ILE 7 Ca -0.23 -1.16 0.00 0.00 -0.00 0.00 0.00 64.86 63.47 1fr2 h ILE 7 Cb 1.26 1.68 0.00 0.00 -0.00 0.00 0.00 36.82 39.76 1fr2 h ILE 7 CO 0.27 0.30 0.00 -1.54 -0.00 0.00 0.00 178.15 177.18 1fr2 n SER 8 N -3.77 0.00 0.02 2.16 3.41 -1.25 -1.02 113.62 113.17 1fr2 n SER 8 Ca -0.01 0.12 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1fr2 n SER 8 Cb 0.40 -0.28 0.31 0.00 -0.26 0.00 0.00 64.21 64.37 1fr2 n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1fr2 n ASP 9 N -1.28 0.48 -4.64 4.04 10.43 -0.24 -3.66 116.55 121.67 1fr2 n ASP 9 Ca 0.06 0.06 -0.35 0.00 2.57 0.00 0.00 54.79 57.13 1fr2 n ASP 9 Cb 0.09 0.01 -0.10 0.00 1.84 0.00 0.00 41.12 42.96 1fr2 n ASP 9 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1fr2 s TYR 10 N -3.06 3.22 0.78 1.24 1.51 -0.19 -4.84 117.35 116.01 1fr2 s TYR 10 Ca 0.10 0.07 -0.11 0.00 -1.01 0.00 0.00 57.07 56.12 1fr2 s TYR 10 Cb 0.16 -1.98 0.06 0.00 -0.11 0.00 0.00 41.96 40.10 1fr2 s TYR 10 CO 0.67 0.24 1.09 0.95 -1.11 0.00 0.00 175.55 177.38 1fr2 s THR 11 N -0.04 3.30 0.25 -0.71 -4.23 -1.26 -0.46 115.64 112.50 1fr2 s THR 11 Ca 0.05 0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 60.94 1fr2 s THR 11 Cb -0.12 -2.92 0.24 0.00 1.34 0.00 0.00 72.50 71.04 1fr2 s THR 11 CO 0.01 -0.55 1.88 -0.08 -0.54 0.00 0.00 174.62 175.34 1fr2 h GLU 12 N -1.15 1.11 -0.73 3.99 4.81 -1.92 -1.30 114.58 119.38 1fr2 h GLU 12 Ca -0.44 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 1fr2 h GLU 12 Cb 1.23 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 1fr2 h GLU 12 CO 0.52 0.73 0.36 0.00 -0.73 0.00 0.00 179.01 179.89 1fr2 h ALA 13 N 1.41 0.94 -0.57 2.92 0.00 -1.94 0.48 119.26 122.51 1fr2 h ALA 13 Ca 0.39 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1fr2 h ALA 13 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1fr2 h ALA 13 CO -0.15 0.50 -0.02 0.93 0.00 0.00 0.00 179.25 180.51 1fr2 h GLU 14 N 1.02 1.00 -0.50 0.00 5.08 -1.77 -1.01 114.58 118.41 1fr2 h GLU 14 Ca 0.25 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1fr2 h GLU 14 Cb 0.11 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1fr2 h GLU 14 CO -0.03 1.00 -0.14 0.35 -1.00 0.00 0.00 179.01 179.18 1fr2 h PHE 15 N 0.91 1.06 -0.78 4.33 3.57 -0.95 -2.22 116.94 122.86 1fr2 h PHE 15 Ca 0.16 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1fr2 h PHE 15 Cb 0.56 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1fr2 h PHE 15 CO 0.04 1.01 0.46 1.25 -2.23 0.00 0.00 178.31 178.84 1fr2 h LEU 16 N 0.84 0.94 -0.46 0.59 5.85 -0.60 -0.63 115.31 121.83 1fr2 h LEU 16 Ca 0.13 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1fr2 h LEU 16 Cb 0.69 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1fr2 h LEU 16 CO 0.05 0.73 0.25 -0.61 -0.34 0.00 0.00 178.44 178.52 1fr2 h GLN 17 N 1.07 0.49 -0.20 1.25 4.15 -0.82 0.14 115.11 121.19 1fr2 h GLN 17 Ca 0.28 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1fr2 h GLN 17 Cb -0.03 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1fr2 h GLN 17 CO -0.05 0.32 0.13 1.25 -1.93 0.00 0.00 178.83 178.55 1fr2 h LEU 18 N 0.50 0.24 -0.63 -2.39 5.85 -0.77 -0.28 115.31 117.84 1fr2 h LEU 18 Ca 0.19 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1fr2 h LEU 18 Cb 0.07 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1fr2 h LEU 18 CO -0.12 0.19 0.11 0.58 -0.34 0.00 0.00 178.44 178.87 1fr2 h VAL 19 N 0.26 1.26 -0.53 1.05 2.07 -0.92 -1.76 116.25 117.68 1fr2 h VAL 19 Ca 0.07 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1fr2 h VAL 19 Cb -0.01 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1fr2 h VAL 19 CO -0.02 0.37 0.29 0.74 0.02 0.00 0.00 177.57 178.97 1fr2 h THR 20 N 0.94 1.18 -0.36 2.57 2.02 -0.54 0.04 112.91 118.77 1fr2 h THR 20 Ca 0.19 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.95 1fr2 h THR 20 Cb 0.41 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1fr2 h THR 20 CO 0.01 0.20 0.07 0.74 0.37 0.00 0.00 175.52 176.91 1fr2 h THR 21 N 0.71 0.82 -0.06 3.16 2.02 -0.80 -1.41 112.91 117.34 1fr2 h THR 21 Ca 0.19 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1fr2 h THR 21 Cb 0.06 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1fr2 h THR 21 CO -0.03 0.04 0.04 0.40 0.37 0.00 0.00 175.52 176.33 1fr2 h ILE 22 N 0.19 1.07 0.00 3.11 2.04 -0.93 -0.50 117.51 122.50 1fr2 h ILE 22 Ca 0.17 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1fr2 h ILE 22 Cb 0.20 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1fr2 h ILE 22 CO -0.23 0.06 -0.10 0.00 0.00 0.00 0.00 178.15 177.88 1fr2 n ASN 24 N -4.03 1.56 -4.04 0.00 3.02 -0.56 -4.94 115.26 106.27 1fr2 n ASN 24 Ca -0.02 -1.37 -0.31 0.00 -0.03 0.00 0.00 54.58 52.85 1fr2 n ASN 24 Cb 0.19 0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.43 1fr2 n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fr2 n ALA 25 N 0.04 -1.53 -1.97 5.41 0.00 -0.21 -4.81 120.51 117.43 1fr2 n ALA 25 Ca 0.16 -0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.14 1fr2 n ALA 25 Cb 0.39 -3.03 -0.01 0.00 0.00 0.00 0.00 19.45 16.80 1fr2 n ALA 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1fr2 n ASP 26 N -2.82 7.43 -4.21 0.00 2.03 -0.26 -4.85 116.55 113.87 1fr2 n ASP 26 Ca -0.07 -3.06 -0.12 0.00 0.52 0.00 0.00 54.79 52.06 1fr2 n ASP 26 Cb 0.57 -1.42 -0.10 0.00 -0.72 0.00 0.00 41.12 39.45 1fr2 n ASP 26 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1fr2 s THR 27 N -0.32 0.93 -1.66 5.18 -4.23 -1.26 -4.95 115.64 109.33 1fr2 s THR 27 Ca 0.53 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.31 1fr2 s THR 27 Cb 0.16 -1.76 0.28 0.00 1.34 0.00 0.00 72.50 72.52 1fr2 s THR 27 CO -0.07 -0.81 1.60 -1.54 -0.54 0.00 0.00 174.62 173.27 1fr2 n SER 28 N -0.11 0.88 -3.88 3.99 3.41 -1.26 -4.89 113.62 111.76 1fr2 n SER 28 Ca -0.11 -0.77 -0.10 0.00 -0.26 0.00 0.00 58.87 57.63 1fr2 n SER 28 Cb 0.61 0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 64.57 1fr2 n SER 28 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1fr2 s SER 29 N -2.55 0.09 0.23 4.04 1.04 -1.26 -5.04 113.70 110.25 1fr2 s SER 29 Ca 0.24 -0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.15 1fr2 s SER 29 Cb 0.19 0.27 0.20 0.00 0.10 0.00 0.00 66.02 66.78 1fr2 s SER 29 CO 0.53 -0.54 1.88 -0.08 0.98 0.00 0.00 173.24 176.01 1fr2 h GLU 30 N 3.53 1.18 -0.61 4.02 4.81 -2.00 -2.85 114.58 122.66 1fr2 h GLU 30 Ca -0.32 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 58.88 1fr2 h GLU 30 Cb 1.19 -0.25 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 1fr2 h GLU 30 CO 0.49 0.82 0.29 0.93 -0.73 0.00 0.00 179.01 180.80 1fr2 h GLU 31 N 1.20 0.51 -0.59 1.92 5.08 -1.99 -0.81 114.58 119.88 1fr2 h GLU 31 Ca 0.32 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1fr2 h GLU 31 Cb -0.07 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1fr2 h GLU 31 CO -0.06 0.33 0.32 1.49 -1.00 0.00 0.00 179.01 180.10 1fr2 h GLU 32 N 0.52 0.83 -0.35 2.33 4.81 -1.93 -1.75 114.58 119.04 1fr2 h GLU 32 Ca 0.29 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1fr2 h GLU 32 Cb 0.27 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1fr2 h GLU 32 CO -0.23 0.64 0.12 1.25 -0.73 0.00 0.00 179.01 180.05 1fr2 h LEU 33 N 0.80 0.51 -0.76 1.64 5.85 -1.08 -0.66 115.31 121.61 1fr2 h LEU 33 Ca 0.21 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1fr2 h LEU 33 Cb 0.05 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1fr2 h LEU 33 CO -0.03 0.57 0.47 0.58 -0.34 0.00 0.00 178.44 179.69 1fr2 h VAL 34 N 0.42 1.21 -0.80 1.05 2.07 -0.96 -0.71 116.25 118.53 1fr2 h VAL 34 Ca 0.11 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1fr2 h VAL 34 Cb 0.24 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1fr2 h VAL 34 CO -0.00 0.22 0.36 0.11 0.02 0.00 0.00 177.57 178.27 1fr2 h LYS 35 N 1.04 1.17 -0.80 1.57 1.79 -0.95 -0.08 116.57 120.32 1fr2 h LYS 35 Ca 0.28 -0.18 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 1fr2 h LYS 35 Cb -0.06 -0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.35 1fr2 h LYS 35 CO -0.05 0.92 0.44 -0.07 -1.08 0.00 0.00 179.45 179.60 1fr2 h LEU 36 N 1.15 1.00 -0.33 2.94 3.38 -0.40 -1.32 115.31 121.74 1fr2 h LEU 36 Ca 0.27 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1fr2 h LEU 36 Cb 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1fr2 h LEU 36 CO -0.03 0.81 -0.14 0.58 0.09 0.00 0.00 178.44 179.75 1fr2 h VAL 37 N 1.11 1.29 -0.49 1.22 2.07 -0.53 0.28 116.25 121.20 1fr2 h VAL 37 Ca 0.28 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1fr2 h VAL 37 Cb 0.04 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1fr2 h VAL 37 CO -0.04 0.40 0.17 0.74 0.02 0.00 0.00 177.57 178.85 1fr2 h THR 38 N 0.44 0.82 -0.40 2.57 2.02 -0.92 -1.26 112.91 116.19 1fr2 h THR 38 Ca 0.08 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1fr2 h THR 38 Cb 0.66 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1fr2 h THR 38 CO 0.04 0.06 0.25 -0.74 0.37 0.00 0.00 175.52 175.50 1fr2 h HIS 39 N 0.34 0.47 -0.23 3.16 6.17 -0.95 -1.69 115.15 122.41 1fr2 h HIS 39 Ca 0.24 0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.39 1fr2 h HIS 39 Cb 0.26 -0.16 -0.07 0.00 2.52 0.00 0.00 27.41 29.96 1fr2 h HIS 39 CO -0.17 0.29 -0.33 0.35 0.71 0.00 0.00 177.93 178.78 1fr2 h PHE 40 N 0.51 -0.92 -0.90 5.26 3.04 -0.47 0.12 116.94 123.58 1fr2 h PHE 40 Ca 0.15 0.05 0.07 0.00 3.98 0.00 0.00 57.97 62.21 1fr2 h PHE 40 Cb -0.03 0.44 -0.06 0.00 2.56 0.00 0.00 35.95 38.85 1fr2 h PHE 40 CO -0.06 -0.40 0.56 0.00 -2.02 0.00 0.00 178.31 176.39 1fr2 h ALA 41 N 0.52 1.24 -0.28 2.41 0.00 -0.99 -1.14 119.26 121.02 1fr2 h ALA 41 Ca 0.12 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1fr2 h ALA 41 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1fr2 h ALA 41 CO -0.43 0.31 -0.43 0.93 0.00 0.00 0.00 179.25 179.63 1fr2 h GLU 42 N 1.01 0.71 -0.11 0.00 5.08 -0.71 -2.64 114.58 117.93 1fr2 h GLU 42 Ca 0.39 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1fr2 h GLU 42 Cb 0.19 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1fr2 h GLU 42 CO -0.18 1.01 0.01 0.52 -1.00 0.00 0.00 179.01 179.36 1fr2 h MET 43 N 0.58 0.18 -0.10 2.33 2.86 -0.18 -3.27 114.93 117.33 1fr2 h MET 43 Ca 0.04 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1fr2 h MET 43 Cb 0.98 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 1fr2 h MET 43 CO 0.09 0.41 -0.55 1.79 1.06 0.00 0.00 176.91 179.71 1fr2 h THR 44 N -0.07 1.36 -0.58 2.22 1.35 -1.24 -3.39 112.91 112.57 1fr2 h THR 44 Ca 0.03 -1.85 -0.25 0.00 -0.55 0.00 0.00 66.41 63.79 1fr2 h THR 44 Cb 0.32 1.89 -0.10 0.00 -1.73 0.00 0.00 68.15 68.54 1fr2 h THR 44 CO 0.00 0.55 -0.23 -0.62 -0.25 0.00 0.00 175.52 174.98 1fr2 n GLU 45 N -3.92 -1.52 -2.48 4.72 1.02 -1.00 -4.94 120.64 112.53 1fr2 n GLU 45 Ca -0.02 0.91 -0.40 0.00 -0.02 0.00 0.00 57.16 57.62 1fr2 n GLU 45 Cb 0.58 -5.25 -0.04 0.00 -0.02 0.00 0.00 31.44 26.72 1fr2 n GLU 45 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1fr2 s HIS 46 N -2.11 3.58 0.54 -0.32 2.46 -1.26 -4.93 115.29 113.24 1fr2 s HIS 46 Ca 0.00 1.67 0.24 0.00 0.47 0.00 0.00 55.06 57.45 1fr2 s HIS 46 Cb 0.00 -3.28 1.40 0.00 -0.13 0.00 0.00 32.58 30.57 1fr2 s HIS 46 CO 0.00 -0.57 2.03 -1.35 -2.47 0.00 0.00 174.74 172.37 1fr2 h PRO 47 N 4.10 0.00 0.00 2.88 0.11 -1.96 -1.95 132.00 135.18 1fr2 h PRO 47 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1fr2 h PRO 47 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1fr2 h PRO 47 CO 0.68 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.24 1fr2 h SER 48 N 0.00 0.00 0.00 -2.05 0.02 -2.00 -3.49 113.55 106.04 1fr2 h SER 48 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1fr2 h SER 48 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1fr2 h SER 48 CO -0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1fr2 n GLY 49 N 0.95 2.83 0.07 -3.77 0.00 -0.74 -1.27 105.19 103.27 1fr2 n GLY 49 Ca 0.05 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1fr2 n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fr2 n SER 50 N 1.99 0.34 0.29 1.61 3.41 -1.26 -2.44 113.62 117.56 1fr2 n SER 50 Ca 0.00 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.35 1fr2 n SER 50 Cb 0.00 -0.66 0.87 0.00 -0.26 0.00 0.00 64.21 64.16 1fr2 n SER 50 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1fr2 h ASP 51 N 0.00 0.00 -0.53 4.04 3.45 -1.51 0.06 116.42 121.93 1fr2 h ASP 51 Ca 0.00 0.00 0.10 0.00 0.43 0.00 0.00 57.03 57.56 1fr2 h ASP 51 Cb 0.25 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.99 1fr2 h ASP 51 CO 0.00 0.00 0.36 -0.07 -1.57 0.00 0.00 179.24 177.96 1fr2 h LEU 52 N 0.00 0.24 0.10 1.55 3.38 -1.63 0.72 115.31 119.67 1fr2 h LEU 52 Ca 0.00 0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.61 1fr2 h LEU 52 Cb 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1fr2 h LEU 52 CO -0.00 0.15 -2.08 -0.38 0.09 0.00 0.00 178.44 176.22 1fr2 n ILE 53 N -4.45 1.72 -0.02 1.22 5.41 -0.06 -4.53 119.36 118.65 1fr2 n ILE 53 Ca 0.09 -0.65 0.01 0.00 1.00 0.00 0.00 62.75 63.20 1fr2 n ILE 53 Cb 0.40 -1.64 -0.07 0.00 -0.71 0.00 0.00 39.64 37.62 1fr2 n ILE 53 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1fr2 n TYR 54 N -3.42 0.00 -3.19 1.39 4.02 -0.76 -4.76 117.16 110.44 1fr2 n TYR 54 Ca -0.34 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.33 1fr2 n TYR 54 Cb 1.04 -0.29 -0.05 0.00 -0.02 0.00 0.00 39.34 40.02 1fr2 n TYR 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1fr2 n TYR 55 N -2.00 0.71 -1.65 -0.72 4.02 0.22 -5.03 117.16 112.70 1fr2 n TYR 55 Ca -0.06 -3.77 -0.41 0.00 -0.01 0.00 0.00 57.90 53.65 1fr2 n TYR 55 Cb 0.43 -0.41 0.01 0.00 -0.02 0.00 0.00 39.34 39.35 1fr2 n TYR 55 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1fr2 n PRO 56 N 0.73 1.63 -1.03 -0.72 -0.02 -1.03 -4.63 135.00 129.94 1fr2 n PRO 56 Ca 0.25 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.98 1fr2 n PRO 56 Cb 0.56 -2.18 0.14 0.00 -0.02 0.00 0.00 33.50 31.99 1fr2 n PRO 56 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1fr2 s LYS 57 N -2.05 1.50 0.19 -0.52 1.02 -1.26 -4.92 119.74 113.69 1fr2 s LYS 57 Ca 0.61 1.72 -0.33 0.00 0.02 0.00 0.00 55.97 58.00 1fr2 s LYS 57 Cb -0.55 -1.76 -0.13 0.00 -0.52 0.00 0.00 37.83 34.87 1fr2 s LYS 57 CO 0.58 -2.31 1.64 -1.91 -0.92 0.00 0.00 175.35 172.43 1fr2 n GLU 58 N -3.49 2.45 -0.81 1.68 4.07 -1.26 -1.77 120.64 121.51 1fr2 n GLU 58 Ca 0.13 0.88 0.00 0.00 -0.06 0.00 0.00 57.16 58.12 1fr2 n GLU 58 Cb 0.51 -2.69 0.00 0.00 -0.06 0.00 0.00 31.44 29.20 1fr2 n GLU 58 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1fr2 n GLY 59 N 3.62 1.06 3.82 8.31 0.00 -1.26 -5.02 105.19 115.72 1fr2 n GLY 59 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1fr2 n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fr2 s ASP 60 N -3.06 6.99 -0.31 1.61 -0.00 -0.73 -5.04 116.67 116.13 1fr2 s ASP 60 Ca 0.00 1.23 -0.23 0.00 -0.00 0.00 0.00 52.55 53.55 1fr2 s ASP 60 Cb 0.00 -2.35 0.00 0.00 -0.00 0.00 0.00 42.92 40.57 1fr2 s ASP 60 CO 0.00 0.18 0.78 -0.62 -0.00 0.00 0.00 175.17 175.51 1fr2 s ASP 61 N -1.40 6.64 -0.27 0.27 -1.08 -1.26 -4.84 116.67 114.73 1fr2 s ASP 61 Ca 0.34 0.61 0.12 0.00 -0.52 0.00 0.00 52.55 53.11 1fr2 s ASP 61 Cb -0.18 -2.40 0.74 0.00 -1.46 0.00 0.00 42.92 39.62 1fr2 s ASP 61 CO 0.19 -0.62 1.72 -0.90 0.52 0.00 0.00 175.17 176.09 1fr2 n ASP 62 N 6.21 4.98 -4.80 -0.34 3.85 -1.26 -2.95 116.55 122.24 1fr2 n ASP 62 Ca 0.03 -3.11 -0.31 0.00 -0.71 0.00 0.00 54.79 50.70 1fr2 n ASP 62 Cb 0.48 -0.69 0.07 0.00 -1.35 0.00 0.00 41.12 39.63 1fr2 n ASP 62 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1fr2 s SER 63 N -1.13 4.92 0.19 -1.12 1.04 -1.26 -4.84 113.70 111.50 1fr2 s SER 63 Ca 0.53 1.57 -0.13 0.00 0.48 0.00 0.00 55.95 58.40 1fr2 s SER 63 Cb 0.42 -2.37 0.21 0.00 0.10 0.00 0.00 66.02 64.38 1fr2 s SER 63 CO 0.13 -1.73 1.70 -0.65 0.98 0.00 0.00 173.24 173.67 1fr2 h PRO 64 N -0.92 0.20 -0.25 4.02 0.11 -1.90 -0.44 132.00 132.81 1fr2 h PRO 64 Ca -0.45 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1fr2 h PRO 64 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1fr2 h PRO 64 CO 0.56 0.13 -0.26 0.66 -0.21 0.00 0.00 178.00 178.88 1fr2 h SER 65 N 0.20 0.50 -0.63 -2.05 4.64 -1.93 -1.36 113.55 112.92 1fr2 h SER 65 Ca 0.26 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1fr2 h SER 65 Cb 0.37 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 1fr2 h SER 65 CO -0.37 0.75 0.37 1.23 -0.87 0.00 0.00 176.83 177.94 1fr2 h GLY 66 N 1.02 0.93 0.87 -0.77 0.00 -1.49 -0.81 103.07 102.82 1fr2 h GLY 66 Ca 0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1fr2 h GLY 66 CO 0.05 0.38 0.01 -2.22 0.00 0.00 0.00 176.54 174.77 1fr2 h ILE 67 N 0.86 1.25 -0.79 2.60 2.04 -0.81 -1.01 117.51 121.65 1fr2 h ILE 67 Ca 0.23 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1fr2 h ILE 67 Cb 0.00 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1fr2 h ILE 67 CO -0.04 0.29 0.52 0.58 0.00 0.00 0.00 178.15 179.50 1fr2 h VAL 68 N 0.29 1.19 -0.63 1.67 2.07 -1.11 -0.63 116.25 119.10 1fr2 h VAL 68 Ca 0.08 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1fr2 h VAL 68 Cb 0.40 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1fr2 h VAL 68 CO 0.01 0.19 0.21 -1.13 0.02 0.00 0.00 177.57 176.87 1fr2 h ASN 69 N 1.06 0.91 -0.76 0.57 -0.73 -0.98 0.29 115.58 115.95 1fr2 h ASN 69 Ca 0.29 -0.20 -0.02 0.00 1.87 0.00 0.00 56.30 58.25 1fr2 h ASN 69 Cb -0.11 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 38.21 1fr2 h ASN 69 CO -0.07 0.87 0.41 0.74 -0.37 0.00 0.00 177.43 179.02 1fr2 h THR 70 N 0.91 1.23 -0.26 -3.57 2.02 -0.59 -0.16 112.91 112.48 1fr2 h THR 70 Ca 0.21 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1fr2 h THR 70 Cb 0.28 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1fr2 h THR 70 CO -0.01 0.25 0.09 0.58 0.37 0.00 0.00 175.52 176.81 1fr2 h VAL 71 N 1.05 1.19 -0.42 3.16 2.07 -0.86 -1.66 116.25 120.77 1fr2 h VAL 71 Ca 0.27 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1fr2 h VAL 71 Cb 0.04 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1fr2 h VAL 71 CO -0.04 0.20 0.21 0.50 0.02 0.00 0.00 177.57 178.45 1fr2 h LYS 72 N 0.26 0.60 -0.49 1.57 3.64 -0.54 -0.77 116.57 120.84 1fr2 h LYS 72 Ca 0.09 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 1fr2 h LYS 72 Cb 0.22 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1fr2 h LYS 72 CO -0.00 0.51 -0.11 1.96 -2.27 0.00 0.00 179.45 179.54 1fr2 h GLN 73 N 0.54 0.94 -0.07 1.90 1.08 -1.03 -1.53 115.11 116.94 1fr2 h GLN 73 Ca 0.15 -0.35 -0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1fr2 h GLN 73 Cb 0.10 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1fr2 h GLN 73 CO -0.02 1.02 0.03 2.35 -0.95 0.00 0.00 178.83 181.25 1fr2 h TRP 74 N 0.80 0.11 -0.85 2.96 7.01 -1.04 -0.43 115.95 124.50 1fr2 h TRP 74 Ca 0.13 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 1fr2 h TRP 74 Cb 0.66 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.65 1fr2 h TRP 74 CO 0.05 0.23 0.49 0.00 -2.79 0.00 0.00 178.44 176.41 1fr2 h ARG 75 N -0.05 1.17 -0.57 2.65 3.08 -1.12 -1.41 114.38 118.14 1fr2 h ARG 75 Ca 0.02 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1fr2 h ARG 75 Cb 0.17 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1fr2 h ARG 75 CO -0.00 0.84 0.26 0.00 -1.07 0.00 0.00 179.97 180.00 1fr2 h ALA 76 N 1.26 1.40 0.00 0.04 0.00 -1.02 -2.13 119.26 118.81 1fr2 h ALA 76 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1fr2 h ALA 76 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1fr2 h ALA 76 CO -0.05 0.47 -0.17 0.00 0.00 0.00 0.00 179.25 179.50 1fr2 n ALA 77 N -2.45 2.58 -1.72 0.00 0.00 -0.19 -4.02 120.51 114.71 1fr2 n ALA 77 Ca 0.05 -0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.41 1fr2 n ALA 77 Cb 0.13 -1.37 0.17 0.00 0.00 0.00 0.00 19.45 18.38 1fr2 n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1fr2 n ASN 78 N -1.84 1.61 -0.17 0.00 3.02 -0.61 -4.98 115.26 112.29 1fr2 n ASN 78 Ca 0.06 -3.53 -0.02 0.00 -0.03 0.00 0.00 54.58 51.05 1fr2 n ASN 78 Cb 0.38 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 1fr2 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fr2 n GLY 79 N -0.87 0.56 3.88 7.41 0.00 -1.18 -5.00 105.19 110.00 1fr2 n GLY 79 Ca 0.17 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 1fr2 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr2 s LYS 80 N -1.52 3.21 0.73 1.61 1.02 -0.83 -5.08 119.74 118.89 1fr2 s LYS 80 Ca 0.00 -0.71 -0.13 0.00 0.02 0.00 0.00 55.97 55.16 1fr2 s LYS 80 Cb 0.00 -2.83 0.04 0.00 -0.52 0.00 0.00 37.83 34.52 1fr2 s LYS 80 CO 0.00 0.51 1.11 -1.54 -0.92 0.00 0.00 175.35 174.51 1fr2 s SER 81 N -3.14 4.64 0.00 2.83 1.04 -1.26 -4.47 113.70 113.34 1fr2 s SER 81 Ca 0.33 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.70 1fr2 s SER 81 Cb -0.11 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1fr2 s SER 81 CO 0.26 -1.94 0.00 0.61 0.98 0.00 0.00 173.24 173.15 1fr2 n GLY 82 N -0.76 3.76 3.77 7.32 0.00 -1.26 -4.85 105.19 113.16 1fr2 n GLY 82 Ca 0.10 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 1fr2 n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fr2 s PHE 83 N 1.22 2.59 0.54 1.61 0.40 -1.26 -3.83 117.98 119.25 1fr2 s PHE 83 Ca 0.00 1.55 -0.21 0.00 -0.60 0.00 0.00 56.93 57.68 1fr2 s PHE 83 Cb 0.00 -3.17 -0.05 0.00 0.51 0.00 0.00 43.02 40.31 1fr2 s PHE 83 CO 0.00 -1.74 1.23 0.21 0.70 0.00 0.00 175.22 175.62 1fr2 s LYS 84 N -4.15 3.26 0.00 0.44 2.20 0.40 -4.93 119.74 116.96 1fr2 s LYS 84 Ca 0.67 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 58.19 1fr2 s LYS 84 Cb -0.21 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 1fr2 s LYS 84 CO 0.43 -1.00 0.00 1.04 -0.36 0.00 0.00 175.35 175.46