#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fac s THR 2 N 0.00 3.34 0.23 2.46 -4.23 -1.26 -5.00 115.64 111.18 2fac s THR 2 Ca 0.00 -1.30 -0.07 0.00 -1.18 0.00 0.00 61.69 59.14 2fac s THR 2 Cb 0.00 -3.15 0.19 0.00 1.34 0.00 0.00 72.50 70.88 2fac s THR 2 CO 0.00 -0.12 1.83 0.40 -0.54 0.00 0.00 174.62 176.20 2fac h ILE 3 N 1.11 1.26 -0.36 2.99 1.08 -2.01 -1.26 117.51 120.33 2fac h ILE 3 Ca -0.44 -0.69 0.05 0.00 -0.39 0.00 0.00 64.86 63.39 2fac h ILE 3 Cb 1.26 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 2fac h ILE 3 CO 0.57 0.30 0.10 -0.08 -0.69 0.00 0.00 178.15 178.35 2fac h GLU 4 N 1.23 0.24 -0.68 2.37 4.81 -1.96 0.12 114.58 120.70 2fac h GLU 4 Ca 0.30 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 2fac h GLU 4 Cb 0.08 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2fac h GLU 4 CO -0.04 0.16 0.15 0.93 -0.73 0.00 0.00 179.01 179.47 2fac h GLU 5 N 0.24 1.10 -0.41 1.92 5.08 -1.84 -1.36 114.58 119.32 2fac h GLU 5 Ca 0.16 -0.27 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 2fac h GLU 5 Cb 0.16 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2fac h GLU 5 CO -0.19 0.99 -0.34 0.00 -1.00 0.00 0.00 179.01 178.47 2fac h ARG 6 N 1.03 0.96 -0.39 2.33 3.08 -0.85 -1.38 114.38 119.15 2fac h ARG 6 Ca 0.21 -0.48 -0.07 0.00 0.07 0.00 0.00 59.98 59.71 2fac h ARG 6 Cb 0.39 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2fac h ARG 6 CO 0.01 1.15 -0.04 0.28 -1.07 0.00 0.00 179.97 180.29 2fac h VAL 7 N 0.79 1.27 -0.40 2.04 2.07 -0.72 -2.44 116.25 118.85 2fac h VAL 7 Ca 0.07 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 2fac h VAL 7 Cb 0.94 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2fac h VAL 7 CO 0.09 0.37 -0.05 0.11 0.02 0.00 0.00 177.57 178.10 2fac h LYS 8 N 0.54 0.68 -0.55 1.57 1.57 -1.20 -0.95 116.57 118.24 2fac h LYS 8 Ca 0.11 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2fac h LYS 8 Cb 0.54 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2fac h LYS 8 CO 0.03 0.73 0.23 -0.22 -0.57 0.00 0.00 179.45 179.66 2fac h LYS 9 N 0.63 0.80 -0.32 3.15 3.64 -1.14 -1.37 116.57 121.97 2fac h LYS 9 Ca 0.12 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2fac h LYS 9 Cb 0.47 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2fac h LYS 9 CO 0.02 0.69 -0.07 0.82 -2.27 0.00 0.00 179.45 178.65 2fac h ILE 10 N 0.74 1.28 -0.48 2.00 2.04 -0.99 -1.53 117.51 120.56 2fac h ILE 10 Ca 0.18 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 64.98 2fac h ILE 10 Cb 0.17 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2fac h ILE 10 CO -0.02 0.36 0.26 0.40 0.00 0.00 0.00 178.15 179.15 2fac h ILE 11 N 0.39 0.99 -0.34 -0.67 2.04 -1.08 -0.31 117.51 118.53 2fac h ILE 11 Ca 0.08 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2fac h ILE 11 Cb 0.55 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2fac h ILE 11 CO 0.03 0.09 0.11 1.23 0.00 0.00 0.00 178.15 179.61 2fac h GLY 12 N 0.51 0.57 0.99 5.37 0.00 -1.14 0.09 103.07 109.46 2fac h GLY 12 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2fac h GLY 12 CO -0.13 0.31 0.17 -2.09 0.00 0.00 0.00 176.54 174.81 2fac h GLU 13 N 0.40 0.36 -0.49 4.80 4.57 -1.06 -0.35 114.58 122.80 2fac h GLU 13 Ca 0.11 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 2fac h GLU 13 Cb 0.25 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2fac h GLU 13 CO -0.00 0.25 0.05 1.96 -1.18 0.00 0.00 179.01 180.09 2fac h GLN 14 N 0.36 0.82 -0.00 1.92 1.08 -0.92 -3.24 115.11 115.13 2fac h GLN 14 Ca 0.10 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2fac h GLN 14 Cb -0.03 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2fac h GLN 14 CO -0.02 0.84 -0.40 1.28 -0.95 0.00 0.00 178.83 179.58 2fac n LEU 15 N -4.40 0.49 -1.75 1.46 4.77 0.01 -4.96 117.00 112.62 2fac n LEU 15 Ca 0.01 0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 2fac n LEU 15 Cb 0.27 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2fac n LEU 15 CO 0.41 0.12 0.05 0.61 -1.33 0.00 0.00 177.39 177.25 2fac n GLY 16 N 1.47 0.17 3.45 -0.72 0.00 -0.17 -4.96 105.19 104.42 2fac n GLY 16 Ca 0.07 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 2fac n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fac s VAL 17 N -2.98 2.75 0.40 1.61 -7.23 -1.02 -5.07 120.40 108.86 2fac s VAL 17 Ca 0.21 -1.21 -0.25 0.00 -1.81 0.00 0.00 61.98 58.92 2fac s VAL 17 Cb -0.09 -2.15 -0.09 0.00 0.56 0.00 0.00 36.38 34.61 2fac s VAL 17 CO 0.25 0.33 1.12 -1.59 -0.31 0.00 0.00 175.10 174.91 2fac s LYS 18 N -1.44 4.11 0.31 4.82 -2.85 -1.26 -4.58 119.74 118.84 2fac s LYS 18 Ca 0.14 1.70 0.07 0.00 -1.00 0.00 0.00 55.97 56.88 2fac s LYS 18 Cb -0.10 -2.64 0.84 0.00 -2.06 0.00 0.00 37.83 33.87 2fac s LYS 18 CO 0.05 -0.23 1.67 1.96 0.10 0.00 0.00 175.35 178.90 2fac h GLN 19 N 2.61 0.31 0.00 1.78 1.08 -1.95 0.21 115.11 119.16 2fac h GLN 19 Ca -0.48 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 56.70 2fac h GLN 19 Cb 1.23 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.59 2fac h GLN 19 CO 0.62 0.20 -0.01 1.05 -0.95 0.00 0.00 178.83 179.75 2fac h GLU 20 N 0.32 0.00 0.00 1.46 9.09 -2.01 -1.86 114.58 121.58 2fac h GLU 20 Ca 0.62 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 60.01 2fac h GLU 20 Cb 1.27 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.37 2fac h GLU 20 CO -0.60 0.01 -0.59 1.49 0.05 0.00 0.00 179.01 179.37 2fac h GLU 21 N 0.00 0.00 -4.69 1.06 4.81 -1.32 -3.40 114.58 111.04 2fac h GLU 21 Ca -0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 2fac h GLU 21 Cb 0.07 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.33 2fac h GLU 21 CO 0.00 0.04 2.06 0.28 -0.73 0.00 0.00 179.01 180.66 2fac n VAL 22 N -2.89 4.04 -3.03 0.32 0.31 -0.70 -4.90 118.33 111.49 2fac n VAL 22 Ca 0.01 -4.18 -0.28 0.00 -0.01 0.00 0.00 64.34 59.89 2fac n VAL 22 Cb 0.56 -2.43 -0.02 0.00 -0.91 0.00 0.00 33.84 31.04 2fac n VAL 22 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2fac s THR 23 N 2.40 4.94 0.37 2.52 -4.23 -1.26 -4.99 115.64 115.39 2fac s THR 23 Ca 0.46 0.16 0.07 0.00 -1.18 0.00 0.00 61.69 61.21 2fac s THR 23 Cb 0.05 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 70.40 2fac s THR 23 CO 0.01 -0.55 1.95 0.78 -0.54 0.00 0.00 174.62 176.27 2fac h ASN 24 N 1.04 0.62 1.38 3.99 4.21 -1.95 -1.76 115.58 123.10 2fac h ASN 24 Ca -0.48 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.04 2fac h ASN 24 Cb 1.20 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 2fac h ASN 24 CO 0.64 0.39 -0.07 -0.46 -1.29 0.00 0.00 177.43 176.63 2fac n ASN 25 N -4.49 0.76 -4.69 5.81 0.23 -1.26 -0.29 115.26 111.33 2fac n ASN 25 Ca 0.12 0.51 -0.44 0.00 -0.53 0.00 0.00 54.58 54.24 2fac n ASN 25 Cb 0.28 -0.67 -0.03 0.00 -2.08 0.00 0.00 39.78 37.29 2fac n ASN 25 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2fac n ALA 26 N -1.77 1.47 -2.59 -2.53 0.00 -0.66 -4.74 120.51 109.68 2fac n ALA 26 Ca 0.05 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.51 2fac n ALA 26 Cb 0.43 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 2fac n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fac s SER 27 N 0.41 7.00 0.21 0.00 0.15 -1.26 -1.73 113.70 118.47 2fac s SER 27 Ca 0.68 1.20 -0.10 0.00 0.70 0.00 0.00 55.95 58.43 2fac s SER 27 Cb -0.62 -2.40 0.22 0.00 -1.71 0.00 0.00 66.02 61.52 2fac s SER 27 CO 0.48 -0.02 1.82 -0.26 1.20 0.00 0.00 173.24 176.46 2fac h PHE 28 N 6.23 0.72 0.00 3.44 -1.00 -1.65 -0.61 116.94 124.06 2fac h PHE 28 Ca -0.43 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.36 2fac h PHE 28 Cb 1.20 -0.23 -0.00 0.00 3.61 0.00 0.00 35.95 40.53 2fac h PHE 28 CO 0.65 0.37 -0.12 0.28 -1.61 0.00 0.00 178.31 177.88 2fac h VAL 29 N 0.73 0.85 -0.15 -0.55 2.07 -1.81 -0.24 116.25 117.14 2fac h VAL 29 Ca 0.29 -1.67 -0.17 0.00 0.82 0.00 0.00 66.70 65.97 2fac h VAL 29 Cb 0.13 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2fac h VAL 29 CO -0.16 0.29 -0.62 -0.33 0.02 0.00 0.00 177.57 176.77 2fac h GLU 30 N -1.00 0.53 0.00 1.57 5.08 -1.91 -3.04 114.58 115.80 2fac h GLU 30 Ca -0.02 -0.37 -0.34 0.00 -1.00 0.00 0.00 59.36 57.63 2fac h GLU 30 Cb 0.56 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 2fac h GLU 30 CO -0.01 0.98 -2.28 -0.25 -1.00 0.00 0.00 179.01 176.45 2fac n ASP 31 N -3.92 1.49 -0.84 1.42 8.00 -0.45 -4.58 116.55 117.67 2fac n ASP 31 Ca -0.04 -0.07 0.12 0.00 0.71 0.00 0.00 54.79 55.51 2fac n ASP 31 Cb 0.65 0.20 0.24 0.00 -0.02 0.00 0.00 41.12 42.19 2fac n ASP 31 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2fac n LEU 32 N -2.96 2.60 -1.37 0.64 4.77 -0.36 -4.96 117.00 115.35 2fac n LEU 32 Ca -0.36 -0.93 -0.16 0.00 -0.03 0.00 0.00 56.01 54.53 2fac n LEU 32 Cb 1.00 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.99 2fac n LEU 32 CO 0.30 0.47 -0.16 0.61 -1.33 0.00 0.00 177.39 177.27 2fac n GLY 33 N 1.32 1.03 3.76 -0.72 0.00 -0.96 -4.92 105.19 104.69 2fac n GLY 33 Ca 0.16 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 2fac n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fac s ALA 34 N -2.64 3.57 0.20 4.61 0.00 -0.14 -4.98 121.76 122.37 2fac s ALA 34 Ca 0.00 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.34 2fac s ALA 34 Cb 0.00 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.62 2fac s ALA 34 CO 0.00 -0.76 0.26 -0.40 0.00 0.00 0.00 175.76 174.86 2fac n ASP 35 N 1.36 0.88 -0.22 0.00 5.68 -1.26 -4.61 116.55 118.37 2fac n ASP 35 Ca 0.03 -1.55 -0.06 0.00 -0.50 0.00 0.00 54.79 52.71 2fac n ASP 35 Cb 0.41 -0.12 0.04 0.00 -1.14 0.00 0.00 41.12 40.30 2fac n ASP 35 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2fac h SER 36 N 0.07 0.73 -0.19 -1.12 0.02 -2.01 -2.47 113.55 108.58 2fac h SER 36 Ca -0.10 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 2fac h SER 36 Cb 0.43 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2fac h SER 36 CO 0.14 0.54 -0.27 0.25 -1.14 0.00 0.00 176.83 176.35 2fac h LEU 37 N 0.85 0.68 -1.14 5.07 5.85 -2.01 -2.89 115.31 121.73 2fac h LEU 37 Ca 0.23 -0.25 0.12 0.00 0.84 0.00 0.00 57.88 58.81 2fac h LEU 37 Cb -0.08 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.69 2fac h LEU 37 CO -0.05 0.92 0.60 0.44 -0.34 0.00 0.00 178.44 180.01 2fac h ASP 38 N 0.57 0.82 0.32 1.25 3.32 -1.83 -0.69 116.42 120.19 2fac h ASP 38 Ca 0.07 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2fac h ASP 38 Cb 0.76 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 2fac h ASP 38 CO 0.06 0.45 -0.20 0.74 -1.72 0.00 0.00 179.24 178.58 2fac h THR 39 N 0.89 0.59 -0.03 0.35 2.02 -1.25 0.28 112.91 115.76 2fac h THR 39 Ca 0.45 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.66 2fac h THR 39 Cb 0.50 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2fac h THR 39 CO -0.22 0.00 -0.12 0.58 0.37 0.00 0.00 175.52 176.13 2fac h VAL 40 N -0.50 0.68 -0.37 3.16 2.07 -1.37 -1.20 116.25 118.74 2fac h VAL 40 Ca -0.03 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 2fac h VAL 40 Cb 0.41 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2fac h VAL 40 CO 0.03 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 177.12 2fac h GLU 41 N -0.19 0.68 -0.43 1.57 5.08 -1.05 -1.66 114.58 118.59 2fac h GLU 41 Ca 0.06 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2fac h GLU 41 Cb 0.27 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2fac h GLU 41 CO -0.15 0.82 -0.03 1.25 -1.00 0.00 0.00 179.01 179.90 2fac h LEU 42 N 0.61 0.77 -0.09 1.33 5.85 -0.25 -1.39 115.31 122.15 2fac h LEU 42 Ca 0.10 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2fac h LEU 42 Cb 0.64 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2fac h LEU 42 CO 0.05 0.91 0.05 0.58 -0.34 0.00 0.00 178.44 179.68 2fac h VAL 43 N 0.62 1.09 -0.35 1.05 2.07 -1.10 -1.64 116.25 117.99 2fac h VAL 43 Ca 0.12 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 2fac h VAL 43 Cb 0.53 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2fac h VAL 43 CO 0.03 0.08 0.03 0.24 0.02 0.00 0.00 177.57 177.97 2fac h MET 44 N 0.04 0.54 -0.55 1.57 2.86 -1.24 0.93 114.93 119.08 2fac h MET 44 Ca 0.03 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 2fac h MET 44 Cb 0.09 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2fac h MET 44 CO -0.00 0.54 0.13 0.00 1.06 0.00 0.00 176.91 178.63 2fac h ALA 45 N 1.52 0.73 -0.10 6.32 0.00 -1.08 -0.64 119.26 126.01 2fac h ALA 45 Ca 0.12 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2fac h ALA 45 Cb 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2fac h ALA 45 CO 0.01 0.43 -0.70 -0.07 0.00 0.00 0.00 179.25 178.92 2fac h LEU 46 N 0.78 0.53 -0.97 0.00 3.38 -0.67 -1.51 115.31 116.85 2fac h LEU 46 Ca 0.17 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2fac h LEU 46 Cb 0.35 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2fac h LEU 46 CO 0.00 1.07 0.10 -0.33 0.09 0.00 0.00 178.44 179.38 2fac h GLU 47 N 0.31 0.85 -0.02 1.13 5.08 -0.65 -1.61 114.58 119.67 2fac h GLU 47 Ca -0.03 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2fac h GLU 47 Cb 1.28 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2fac h GLU 47 CO 0.12 0.78 -0.03 1.49 -1.00 0.00 0.00 179.01 180.37 2fac h GLU 48 N 0.81 0.06 -0.66 2.33 4.57 -1.01 -0.47 114.58 120.22 2fac h GLU 48 Ca 0.17 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 2fac h GLU 48 Cb 0.34 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 2fac h GLU 48 CO 0.00 0.57 0.44 1.49 -1.18 0.00 0.00 179.01 180.33 2fac h GLU 49 N -0.45 0.87 -0.69 1.92 4.57 -1.23 -2.92 114.58 116.66 2fac h GLU 49 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2fac h GLU 49 Cb 0.57 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2fac h GLU 49 CO 0.01 0.57 0.00 1.19 -1.18 0.00 0.00 179.01 179.60 2fac n PHE 50 N -4.63 1.40 -4.16 0.92 3.01 -0.61 -4.97 117.46 108.42 2fac n PHE 50 Ca 0.05 -0.58 -0.29 0.00 1.01 0.00 0.00 57.45 57.64 2fac n PHE 50 Cb 0.02 -0.19 -0.06 0.00 -0.01 0.00 0.00 39.48 39.24 2fac n PHE 50 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2fac n ASP 51 N 1.30 0.19 -3.95 4.37 2.03 -0.27 -4.63 116.55 115.59 2fac n ASP 51 Ca 0.26 -1.15 -0.11 0.00 0.52 0.00 0.00 54.79 54.31 2fac n ASP 51 Cb 0.84 -2.27 -0.12 0.00 -0.72 0.00 0.00 41.12 38.85 2fac n ASP 51 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2fac s THR 52 N -4.13 0.14 -0.17 5.18 2.01 -0.70 -4.82 115.64 113.14 2fac s THR 52 Ca 0.05 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 2fac s THR 52 Cb -0.03 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 2fac s THR 52 CO 0.95 -0.29 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.92 2fac s GLU 53 N -0.92 3.50 -0.11 4.92 0.41 -1.26 -4.32 118.70 120.93 2fac s GLU 53 Ca -0.09 -0.60 -0.02 0.00 -0.41 0.00 0.00 54.97 53.86 2fac s GLU 53 Cb -0.06 -2.88 -0.03 0.00 -1.78 0.00 0.00 34.13 29.38 2fac s GLU 53 CO -0.00 0.09 -0.05 -1.50 -0.49 0.00 0.00 175.26 173.31 2fac s ILE 54 N 0.73 3.85 0.40 -1.63 2.07 -1.26 -5.08 121.20 120.28 2fac s ILE 54 Ca -0.03 -0.40 -0.27 0.00 -1.41 0.00 0.00 60.65 58.54 2fac s ILE 54 Cb -0.15 -2.63 -0.10 0.00 0.13 0.00 0.00 42.46 39.71 2fac s ILE 54 CO 0.02 0.55 1.44 -2.84 -1.91 0.00 0.00 174.94 172.20 2fac s PRO 55 N -0.27 4.00 0.33 3.50 0.02 -1.26 -4.79 135.00 136.52 2fac s PRO 55 Ca 0.04 2.46 0.05 0.00 0.02 0.00 0.00 61.00 63.57 2fac s PRO 55 Cb -0.13 -2.87 0.69 0.00 0.02 0.00 0.00 34.50 32.21 2fac s PRO 55 CO 0.02 -0.58 1.87 -0.44 -0.33 0.00 0.00 177.00 177.55 2fac h ASP 56 N 2.81 0.78 0.63 2.53 3.32 -1.99 0.22 116.42 124.73 2fac h ASP 56 Ca -0.51 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 2fac h ASP 56 Cb 1.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2fac h ASP 56 CO 0.63 0.43 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.99 2fac h GLU 57 N 0.84 0.00 0.20 3.56 4.39 -2.00 -1.76 114.58 119.80 2fac h GLU 57 Ca 0.44 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.83 2fac h GLU 57 Cb 0.53 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2fac h GLU 57 CO -0.21 0.26 -1.37 1.49 -1.16 0.00 0.00 179.01 178.02 2fac h GLU 58 N 0.00 0.44 0.00 2.33 4.81 -1.38 -3.27 114.58 117.51 2fac h GLU 58 Ca -0.00 -0.74 -0.06 0.00 -0.13 0.00 0.00 59.36 58.43 2fac h GLU 58 Cb 0.64 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2fac h GLU 58 CO 0.03 1.35 -0.29 0.00 -0.73 0.00 0.00 179.01 179.37 2fac h ALA 59 N 0.34 1.42 -0.08 2.92 0.00 -0.71 -2.43 119.26 120.71 2fac h ALA 59 Ca -0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2fac h ALA 59 Cb 2.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2fac h ALA 59 CO 0.25 0.37 -0.22 1.49 0.00 0.00 0.00 179.25 181.13 2fac h GLU 60 N 0.00 0.14 -0.00 0.00 4.81 -1.38 -2.07 114.58 116.08 2fac h GLU 60 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2fac h GLU 60 Cb 0.55 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2fac h GLU 60 CO 0.04 0.36 -0.21 1.63 -0.73 0.00 0.00 179.01 180.09 2fac n LYS 61 N -4.22 0.05 -2.75 1.92 5.02 -0.92 -4.61 118.16 112.65 2fac n LYS 61 Ca -0.01 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 2fac n LYS 61 Cb 0.31 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 2fac n LYS 61 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2fac s ILE 62 N -2.96 4.16 -1.29 -0.18 1.01 -0.78 -4.82 121.20 116.34 2fac s ILE 62 Ca 0.14 -0.31 0.19 0.00 0.00 0.00 0.00 60.65 60.67 2fac s ILE 62 Cb 0.18 -4.80 -0.12 0.00 0.01 0.00 0.00 42.46 37.74 2fac s ILE 62 CO 0.60 -1.62 0.88 0.35 0.00 0.00 0.00 174.94 175.14 2fac n THR 63 N 6.10 0.00 -4.26 2.92 -2.24 -1.26 -4.94 114.28 110.60 2fac n THR 63 Ca 0.04 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 2fac n THR 63 Cb 0.47 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 2fac n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2fac s THR 64 N -2.53 1.03 0.17 4.28 -4.23 -1.26 -1.59 115.64 111.50 2fac s THR 64 Ca 0.11 -2.03 -0.15 0.00 -1.18 0.00 0.00 61.69 58.44 2fac s THR 64 Cb 0.15 -1.98 0.06 0.00 1.34 0.00 0.00 72.50 72.07 2fac s THR 64 CO 0.65 -0.63 1.73 0.58 -0.54 0.00 0.00 174.62 176.41 2fac h VAL 65 N 2.72 0.81 -0.45 2.29 2.07 -1.37 -2.21 116.25 120.11 2fac h VAL 65 Ca -0.37 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2fac h VAL 65 Cb 1.20 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2fac h VAL 65 CO 0.64 0.04 0.21 -0.61 0.02 0.00 0.00 177.57 177.87 2fac h GLN 66 N 0.24 0.63 -0.08 1.57 5.75 -0.93 -1.27 115.11 121.02 2fac h GLN 66 Ca 0.19 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.54 2fac h GLN 66 Cb 0.22 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2fac h GLN 66 CO -0.24 0.50 -0.33 0.00 -2.65 0.00 0.00 178.83 176.12 2fac h ALA 67 N 1.60 1.31 -0.12 3.38 0.00 -1.68 0.63 119.26 124.37 2fac h ALA 67 Ca 0.16 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2fac h ALA 67 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2fac h ALA 67 CO -0.02 0.49 -0.19 0.00 0.00 0.00 0.00 179.25 179.52 2fac h ALA 68 N 1.53 0.19 -0.38 0.00 0.00 -0.86 -1.75 119.26 117.99 2fac h ALA 68 Ca 0.02 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.59 2fac h ALA 68 Cb 0.65 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2fac h ALA 68 CO 0.05 0.12 0.19 0.82 0.00 0.00 0.00 179.25 180.43 2fac h ILE 69 N -0.07 0.99 -0.75 0.00 2.04 -1.19 -1.99 117.51 116.54 2fac h ILE 69 Ca 0.01 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2fac h ILE 69 Cb 0.76 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2fac h ILE 69 CO 0.04 0.07 0.49 0.44 0.00 0.00 0.00 178.15 179.19 2fac h ASP 70 N 0.39 0.83 -0.67 1.72 3.32 -0.81 -1.38 116.42 119.82 2fac h ASP 70 Ca 0.16 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2fac h ASP 70 Cb 0.06 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2fac h ASP 70 CO -0.10 0.59 0.30 0.22 -1.72 0.00 0.00 179.24 178.53 2fac h TYR 71 N 0.98 0.98 -0.06 4.55 3.20 -1.02 -0.77 116.97 124.84 2fac h TYR 71 Ca 0.28 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 2fac h TYR 71 Cb -0.08 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 37.89 2fac h TYR 71 CO -0.03 0.75 0.02 0.82 -1.64 0.00 0.00 178.16 178.08 2fac h ILE 72 N 0.94 1.15 -0.87 1.81 2.04 -1.05 0.87 117.51 122.39 2fac h ILE 72 Ca 0.23 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.69 2fac h ILE 72 Cb 0.15 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2fac h ILE 72 CO -0.03 0.12 0.57 0.78 0.00 0.00 0.00 178.15 179.60 2fac h ASN 73 N -0.08 0.90 1.51 1.72 2.35 -1.13 0.25 115.58 121.12 2fac h ASN 73 Ca 0.02 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 2fac h ASN 73 Cb 0.18 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 2fac h ASN 73 CO -0.00 0.60 -0.15 1.23 -1.65 0.00 0.00 177.43 177.46 2fac h GLY 74 N 1.04 0.00 0.00 2.83 0.00 -0.73 -3.38 103.07 102.82 2fac h GLY 74 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2fac h GLY 74 CO -0.12 0.00 -0.44 1.42 0.00 0.00 0.00 176.54 177.40 2fac n HIS 75 N -3.18 0.00 -2.12 5.60 8.25 0.26 -5.04 115.22 119.00 2fac n HIS 75 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 2fac n HIS 75 Cb 0.51 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 2fac n HIS 75 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2fac s GLN 76 N -1.37 4.33 0.00 -0.41 0.74 0.83 -4.99 119.66 118.79 2fac s GLN 76 Ca 0.00 2.17 0.01 0.00 0.05 0.00 0.00 55.36 57.59 2fac s GLN 76 Cb 0.00 -3.16 0.01 0.00 1.10 0.00 0.00 33.01 30.97 2fac s GLN 76 CO 0.00 -0.33 0.55 0.00 -0.55 0.00 0.00 175.29 174.96